WorldWideScience

Sample records for calculated in-target production

  1. Calculation of in-target production rates for radioactive isotope beam production at TRIUMF

    Science.gov (United States)

    Garcia, Fatima; Andreoiu, Corina; Kunz, Peter; Laxdal, Aurelia

    2016-09-01

    Rare Isotope Beam (RIB) facilities around the world, such as TRIUMF, work towards development of new target materials to generate exotic species. Access to these rare radioactive isotopes is key for applications in nuclear medicine, astrophysics and fundamental nuclear science. To better understand production from these and other materials, we have built a computer simulation of the RIB targets used at the TRIUMF Isotope Separation and ACceleration (ISAC) facility, to support new target material development. Built at Simon Fraser University, the simulation runs in the GEANT4 nuclear transport toolkit, and can simulate the production rate of isotopes from a given set of beam and target characteristics. The simulation models the bombardment of a production target by an incident high-energy proton beam and calculates isotope in-target production rates different nuclear reactions. Results from the simulation will be presented, along with an evaluation of various nuclear reaction models and a experimentally determined RIB yields at the ISAC Yield Station.

  2. Systematic comparison of ISOLDE-SC yields with calculated in-target production rates

    Energy Technology Data Exchange (ETDEWEB)

    Lukic, S.; Gevaert, F.; Kelic, A.; Ricciardi, M.V.; Schmidt, K.H.; Yordanov, O.

    2006-02-15

    Recently, a series of dedicated inverse-kinematics experiments performed at GSI, Darmstadt, has brought an important progress in our understanding of proton and heavy-ion induced reactions at relativistic energies. The nuclear reaction code ABRABLA that has been developed and benchmarked against the results of these experiments has been used to calculate nuclide production cross sections at different energies and with different targets and beams. These calculations are used to estimate nuclide production rates by protons in thick targets, taking into account the energy loss and the attenuation of the proton beam in the target, as well as the low-energy fission induced by the secondary neutrons. The results are compared to the yields of isotopes of various elements obtained from different targets at CERN-ISOLDE with 600 MeV protons, and the overall extraction efficiencies are deduced. The dependence of these extraction efficiencies on the nuclide half-life is found to follow a simple pattern in many different cases. A simple function is proposed to parameterize this behavior in a way that quantifies the essential properties of the extraction efficiency for the element and the target - ion-source system in question. (orig.)

  3. Reference calculations for subthreshold $\\Xi$ production

    CERN Document Server

    Tomasik, Boris

    2015-01-01

    We present a minimal statistical model designed for the description of rare-hadron multiplicities in nucleus-nucleus collisions at energies below the threshold of the particle production in binary elementary collisions. Differences to more conventional canonical statistical model are explained. The minimal statistical model is applied to the description of multiplicity ratios involving $\\Xi$ hyperons, which are measured by the HADES collaboration at GSI-SIS. It is argued that the HADES data cannot be reproduced by the model based on the statistical equilibrium and the strangeness conservation. The data remain underpredicted even when in-medium potentials acting on hadrons are taken into account. This hints to non-equilibrium production of the $\\Xi$ hyperons and their continuous freeze-out.

  4. A method for calculating the productivity of cable communications networks

    Science.gov (United States)

    Shulikin, S. N.; Shulikina, M. S.; Maryin, S. S.; Vinogradova, D. V.; Zavgorodnyaya, M. E.

    2016-04-01

    A probabilistic-mathematical instrument was used to develop a method for calculating the productivity of a cable line. The effect of deviation of factors from data of recording devices was determined when identifying random stream characteristics. The developed method was used to perform predictive calculation of the productivity of the modern cable communication line.

  5. Innovative Product Design Based on Customer Requirement Weight Calculation Model

    Institute of Scientific and Technical Information of China (English)

    Chen-Guang Guo; Yong-Xian Liu; Shou-Ming Hou; Wei Wang

    2010-01-01

    In the processes of product innovation and design, it is important for the designers to find and capture customer's focus through customer requirement weight calculation and ranking. Based on the fuzzy set theory and Euclidean space distance, this paper puts forward a method for customer requirement weight calculation called Euclidean space distances weighting ranking method. This method is used in the fuzzy analytic hierarchy process that satisfies the additive consistent fuzzy matrix. A model for the weight calculation steps is constructed;meanwhile, a product innovation design module on the basis of the customer requirement weight calculation model is developed. Finally, combined with the instance of titanium sponge production, the customer requirement weight calculation model is validated. By the innovation design module, the structure of the titanium sponge reactor has been improved and made innovative.

  6. Analyzing the Accuracy of Calculations When Scoping Product Configuration Projects

    DEFF Research Database (Denmark)

    Bonev, Martin; Hvam, Lars

    2012-01-01

    Product configurators have increasingly been applied in industrial environments. With their help, companies providing customized products have managed to redesign their specification processes and to better handle the growing product variety. But despite the promising benefits, conducting...... a detailed framework on how the highest potential and eventually the most benefits from using configuration systems can be identified. In particular, this paper investigates how the less explored domain of varying gross margins and calculations reveal a considerable potential for improvement by means...

  7. Shielding calculations for a production target for secondary beams

    Energy Technology Data Exchange (ETDEWEB)

    Rehm, K.E.; Back, B.B.; Jiang, C.L. [and others

    1995-08-01

    In order to estimate the amount of shielding required for a radioactive beam facility dose rate were performed. The calculations for production targets with different geometries were performed. The calculations were performed with the MSU shielding code assuming a 500-p{mu}A 200-MeV deuteron beam stopped in a thick Al target. The target and the ion-optical elements for beam extraction are located in a 2 m{sup 3} large volume at the center of the production cell. These dose rate calculations show that with a combination of Fe and concrete it is possible to reduce the dose rate expected at the surface of a 7-m-wide cube housing the production target to less than 2 mrem/hr.

  8. Calculation of CWKB envelope in boson and fermion productions

    Indian Academy of Sciences (India)

    S Biswas; I Chowdhury

    2007-01-01

    We present the calculation of envelope of boson and of both low- and high- mass fermion production at the end of inflation when the coherently oscillating inflatons decay into bosons and fermions. We consider three different models of inflation and use CWKB technique to calculate the envelope to understand the structure of resonance band formation. We observe that though low-mass fermion production is not effective in pre-heating because of Pauli blocking, it is quite probable for high-mass fermion to take part in pre-heating.

  9. Production rate calculations for a secondary beam facility

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, C.L.; Back, B.B.; Rehm, K.E.

    1995-08-01

    In order to select the most cost-effective method for the production of secondary ion beams, yield calculations for a variety of primary beams were performed ranging in mass from protons to {sup 18}O with energies of 100-200 MeV/u. For comparison, production yields for 600-1000 MeV protons were also calculated. For light ion-(A < {sup 4}He) induced reactions at energies above 50 MeV/u the LAHET code was used while the low energy calculations were performed with LPACE. Heavy-ion-induced production rates were calculated with the ISAPACE program. The results of these codes were checked against each other and wherever possible a comparison with experimental data was performed. These comparisons extended to very exotic reaction channels, such as the production of {sup 100}Sn from {sup 112}Sn and {sup 124}Xe induced fragmentation reactions. These comparisons indicate that the codes are able to predict production rates to within one order of magnitude.

  10. Development of Calculation Code for Fission Product and Corrosion Product in PWR’s Primary Loop

    Institute of Scientific and Technical Information of China (English)

    XU; Zhi-long; WAN; Hai-xia; SHAO; Jing; WU; Xiao-chun; LI; Long; LIU; Xing-min; KE; Guo-tu

    2015-01-01

    With the basis of study on generation,release and migration of fission product,calculation model for each of the above processes was developed,and calculation method for source term of PWR fission products was established.Study on source term of corrosion product in primary loop was been done.Based on the study of corrosion,

  11. Calculation of methane production from enteric fermentation in dairy cows

    OpenAIRE

    Smink, M.C.J.; Hoek, MR; Bannink, A.; Dijkstra, J.

    2005-01-01

    Doel van deze studie is om een inschatting te maken van de methaanproductie door melkkoeien vanaf 1990 tot nu. Tevens zijn de effecten van voer onderzochtThe aim of this study is to calculate methane production by dairy cows during the period 1990 till present. A dynamic mechanistic model of rumen fermentation and digestion will be used which represents the effect of detailed dietary characteristics on methane production

  12. STABILIZER BARS – CALCULATIONS, CONSTRUCTION AND PRODUCTION METHODS

    Directory of Open Access Journals (Sweden)

    Adam Marek WITTEK

    2015-06-01

    Full Text Available The article outlines the calculation and production methods for stabilizer bars. Modern technological and structural solutions in contemporary cars are reflected also in the construction and manufacturing of stabilizer bars. A proper construction and the selection of parameters influence the strength properties, the weight, durability and reliability as well as the selection of an appropriate production method. The selection of the manufacturing process has a fundamental impact on the quality and durability of the stabilizer bars.

  13. Calculation of dose conversion factors for thoron decay products

    Energy Technology Data Exchange (ETDEWEB)

    Ishikawa, Tetsuo [National Institute of Radiological Sciences, 4-9-1 Anagawa, Inage-ku, Chiba, 263-8555 (Japan); Tokonami, Shinji [National Institute of Radiological Sciences, 4-9-1 Anagawa, Inage-ku, Chiba, 263-8555 (Japan); Nemeth, Csaba [Pannon University, 10 Egyetem St, 8201 Veszprem (Hungary)

    2007-12-15

    The dose conversion factors for short-lived thoron decay products were calculated using a dosimetric approach. The calculations were based on a computer program LUDEP, which implements the ICRP 66 respiratory tract model. The dose per equilibrium equivalent concentration for thoron (EETC) was calculated with respect to (1) equivalent dose to each region of the lung tissues (bronchial, bronchiolar and alveolar), (2) weighted equivalent dose to organs other than lung, and (3) effective dose. The calculations indicated that (1) the most exposed region of the lung tissues was the bronchial for the unattached fraction and the bronchiolar for the attached fraction, (2) the effective dose is dominated by the contribution of lung dose, and (3) the effective dose per EETC was about four times larger than the effective dose per equilibrium equivalent concentration for radon (EERC). The calculated dose conversion factors were applied to the comparative dosimetry for some thoron-enhanced areas where the EERC and EETC have been measured. In the case of a spa in Japan, the dose from thoron decay products was larger than the dose from radon decay products.

  14. Calculation of dose conversion factors for thoron decay products.

    Science.gov (United States)

    Ishikawa, Tetsuo; Tokonami, Shinji; Nemeth, Csaba

    2007-12-01

    The dose conversion factors for short-lived thoron decay products were calculated using a dosimetric approach. The calculations were based on a computer program LUDEP, which implements the ICRP 66 respiratory tract model. The dose per equilibrium equivalent concentration for thoron (EETC) was calculated with respect to (1) equivalent dose to each region of the lung tissues (bronchial, bronchiolar and alveolar), (2) weighted equivalent dose to organs other than lung, and (3) effective dose. The calculations indicated that (1) the most exposed region of the lung tissues was the bronchial for the unattached fraction and the bronchiolar for the attached fraction, (2) the effective dose is dominated by the contribution of lung dose, and (3) the effective dose per EETC was about four times larger than the effective dose per equilibrium equivalent concentration for radon (EERC). The calculated dose conversion factors were applied to the comparative dosimetry for some thoron-enhanced areas where the EERC and EETC have been measured. In the case of a spa in Japan, the dose from thoron decay products was larger than the dose from radon decay products.

  15. Calculation of methane production from enteric fermentation in dairy cows

    NARCIS (Netherlands)

    Smink, M.C.J.; Hoek, van der K.W.; Bannink, A.; Dijkstra, J.

    2005-01-01

    Doel van deze studie is om een inschatting te maken van de methaanproductie door melkkoeien vanaf 1990 tot nu. Tevens zijn de effecten van voer onderzochtThe aim of this study is to calculate methane production by dairy cows during the period 1990 till present. A dynamic mechanistic model of rumen f

  16. New Products and Technologies, Based on Calculations Developed Areas

    Directory of Open Access Journals (Sweden)

    Gheorghe Vertan

    2013-09-01

    Full Text Available Following statistics, currently prosperous and have high GDP / capita, only countries that have and fructify intensively large natural resources and/or produce and export products massive based on patented inventions accordingly. Without great natural wealth and the lowest GDP / capita in the EU, Romania will prosper only with such products. Starting from the top experience in the country, some patented, can develop new and competitive technologies and patentable and exportable products, based on exact calculations of developed areas, such as that double shells welded assemblies and plating of ships' propellers and blade pump and hydraulic turbines.

  17. Nuclear model calculations on cyclotron production of {sup 51}Cr

    Energy Technology Data Exchange (ETDEWEB)

    Kakavand, Tayeb [Imam Khomeini International Univ., Qazvin (Iran, Islamic Republic of). Dept. of Physics; Aboudzadeh, Mohammadreza [Nuclear Science and Technology Research Institute/AEOI, Karaj (Iran, Islamic Republic of). Agricultural, Medical and Industrial Research School; Farahani, Zahra; Eslami, Mohammad [Zanjan Univ. (Iran, Islamic Republic of). Dept. of Physics

    2015-12-15

    {sup 51}Cr (T{sub 1/2} = 27.7 d), which decays via electron capture (100 %) with 320 keV gamma emission (9.8 %), is a radionuclide with still a large application in biological studies. In this work, ALICE/ASH and TALYS nuclear model codes along with some adjustments are used to calculate the excitation functions for proton, deuteron, α-particle and neutron induced on various targets leading to the production of {sup 51}Cr radioisotope. The production yields of {sup 51}Cr from various reactions are determined using the excitation function calculations and stopping power data. The results are compared with corresponding experimental data and discussed from point of view of feasibility.

  18. Carbon footprint calculation of Finnish greenhouse products; Kasvihuonetuotteiden ilmastovaikutuslaskenta. Loppuraportti

    Energy Technology Data Exchange (ETDEWEB)

    Yrjaenaeinen, H.; Silvenius, F.; Kaukoranta, T.; Naekkilae, J.; Saerkkae, L.; Tuhkanen, E.-M.

    2013-02-01

    This report presents the results of climate impact calculations for five products produced in Finnish greenhouses: tomatoes, cucumbers, salad crops, tulips and Elatior begonias. The study employed 16 greenhouses for the investigation; two greenhouses each for the tulips and the begonias and four each for the tomatoes, cucumbers and salad crops. Based on these calculations a greenhouse gas calculator was developed for greenhouse cultivators. The calculator is available at internet in www.kauppapuutarhaliitto.fi {yields} hiilijalanjaelki. In terms of environmental impacts this study concentrated on the climate impacts of the investigated products, and the calculations were made for the most significant greenhouse gases: carbon dioxide, methane and nitrous oxide. The following processes were included in the system boundaries: plant growing, manufacturing of lime, fertilizers and pesticides, manufacturing and disposal of pots, carbon dioxide production, irrigation, lighting, thermal curtains and cooling systems, the production and use of electricity and heat energy, distribution of products by the growers, other transportation, end-of-life and recycling. Processes excluded from the study were: distribution by other actors, retail functions, the consumer stage, and maintenance and manufacturing of infrastructure. The study used MTT's calculation model for the climate impact of food products excluding distribution and retail processes. The greenhouses selected for the study had some variation in their energy profiles and growing seasons. In addition, scenarios were created for different energy sources by using the average figures from this study. Monthly energy consumption values were also obtained from a number of the greenhouses and these were used to assess the variations in climate impact for different seasons. According to the results of the study the use of energy is the most significant source of climate impact of greenhouse products. In the tomato farms the

  19. Neutrons in the moon. [neutron flux and production rate calculations

    Science.gov (United States)

    Kornblum, J. J.; Fireman, E. L.; Levine, M.; Aronson, A.

    1973-01-01

    Neutron fluxes for energies between 15 MeV and thermal at depths of 0 to 300 g/sq cm in the moon are calculated by the discrete ordinate mathod with the ANISN code. With the energy spectrum of Lingenfelter et al. (1972). A total neutron-production rate for the moon of 26 plus or minus neutrons/sq cm sec is determined from the Ar-37 activity measurements in the Apollo 16 drill string, which are found to have a depth dependence in accordance with a neutron source function that decreases exponentially with an attenuation length of 155 g/sq cm.

  20. Cost Accounting Methods and Calculation Agricultural Products` Cost

    Directory of Open Access Journals (Sweden)

    Saule B. Spatayeva

    2015-04-01

    Full Text Available In the condition of the current market the effective manage of expenses and calculation accountancy of cost production in agriculture must be aimed to control for resources usage at any level of technology process and getting the accountancy database needed for gaining the management targets.The improving the technologies and set up aspects of business entity activity, taken place for the last decades, which caused a significant influence on condition and structure expenses but could not provide the increase of economic effectiveness in agriculture.

  1. The calculation method of mixing volume in a products pipeline

    Energy Technology Data Exchange (ETDEWEB)

    Gong, Jing; Wang, Qim [China University of Petroleum, Beijing, (China); Wang, Weidongn [Sinopec South China Sales Company, (China); Guo, Yi [CNPC Oil and Gas pipeline control center, (China)

    2010-07-01

    This paper investigated calculation methods of mixing volume on a pipeline. A method of simulation was developed by combining the Austin-Palfrey empirical formula and field data. The field data were introduced to improve the accuracy of the Austin-Palfrey formula by including other factors such as the terrain, the structure of the pipeline, the characteristics of mixed oil products in pumping stations and the distribution of products along the pipeline. These other factors were collected from field data and analyzed statistically to deduce coefficients. The comparison with field results showed that the formula developed for contamination provided accurate values. The formula achieved more accurate results using the characteristics of the field pipeline. This formula could be used for field application.

  2. Carbon footprint of Canadian dairy products: calculations and issues.

    Science.gov (United States)

    Vergé, X P C; Maxime, D; Dyer, J A; Desjardins, R L; Arcand, Y; Vanderzaag, A

    2013-09-01

    The Canadian dairy sector is a major industry with about 1 million cows. This industry emits about 20% of the total greenhouse gas (GHG) emissions from the main livestock sectors (beef, dairy, swine, and poultry). In 2006, the Canadian dairy herd produced about 7.7 Mt of raw milk, resulting in about 4.4 Mt of dairy products (notably 64% fluid milk and 12% cheese). An integrated cradle-to-gate model (field to processing plant) has been developed to estimate the carbon footprint (CF) of 11 Canadian dairy products. The on-farm part of the model is the Unified Livestock Industry and Crop Emissions Estimation System (ULICEES). It considers all GHG emissions associated with livestock production but, for this study, it was run for the dairy sector specifically. Off-farm GHG emissions were estimated using the Canadian Food Carbon Footprint calculator, (cafoo)(2)-milk. It considers GHG emissions from the farm gate to the exit gate of the processing plants. The CF of the raw milk has been found lower in western provinces [0.93 kg of CO2 equivalents (CO2e)/L of milk] than in eastern provinces (1.12 kg of CO2e/L of milk) because of differences in climate conditions and dairy herd management. Most of the CF estimates of dairy products ranged between 1 and 3 kg of CO2e/kg of product. Three products were, however, significantly higher: cheese (5.3 kg of CO2e/kg), butter (7.3 kg of CO2e/kg), and milk powder (10.1 kg of CO2e/kg). The CF results depend on the milk volume needed, the co-product allocation process (based on milk solids content), and the amount of energy used to manufacture each product. The GHG emissions per kilogram of protein ranged from 13 to 40 kg of CO2e. Two products had higher values: cream and sour cream, at 83 and 78 kg of CO2e/kg, respectively. Finally, the highest CF value was for butter, at about 730 kg of CO2e/kg. This extremely high value is due to the fact that the intensity indicator per kilogram of product is high and that butter is almost exclusively

  3. Decay characteristics of fission products and summation calculation

    Energy Technology Data Exchange (ETDEWEB)

    Yoshida, Tadashi [Faculty of Engineering, Musashi Institute of Technology, Tokyo (Japan)

    1999-02-01

    This paper reviews the decay characteristics of fission products on the viewpoint of summation calculation. The fission products (FPs) are accumulated in the operating power reactors. As they are neutron-rich at the time of scission, they undergo successive beta decays toward stable nuclides. To grasp the quantity of an arbitrary nuclide, fission yields, decay constants and blanching ratios of the nuclide in the same decay chain ( a mass chain of the fixed mass is sufficient) must be known. As a neutron capture increases the mass, and release of a delayed neutron decreases the mass, capture cross sections and delayed neutron emitting ratios are also required. If these values of all FP are known, the quantities such as time dependent decay heat and the delayed neutron fraction can be calculated by summation of the contribution of the nuclides. A computer code ORIGEN-2 is a typical example to compute these quantities. The more important than computer code is the data library for summation calculation which includes physical constants such as fission yields, decay constants, blanching ratio, beta and gamma energy emitted at a beta decay, delayed neutron emitting ratios, and neutron capture cross sections for more than 1000 FP nuclides. They are realized in JNDC FP Decay Data Library-Version 2 of Japan, JEF-2 by western European countries, and ENDF/B-VI of USA. The early versions (until early 80's) of these full-scale libraries showed worse agreement with experiment than the old libraries based on approximations and estimates. The application of the gross theory to beta-decay' to short-lived FPs could solve the problem. The above disagreement is explained by having dropped of high excitation levels of short lived daughter nuclides. This is called as Pandemonium Problem. The summation calculation for the gamma ray spectrum succeeded to predict the experimental value by correcting theoretical spectrum. However, there remains still an underestimate for cooling

  4. Numerical Simulation of Shale Gas Production with Thermodynamic Calculations Incorporated

    KAUST Repository

    Urozayev, Dias

    2015-06-01

    In today’s energy sector, it has been observed a revolutionary increase in shale gas recovery induced by reservoir fracking. So-called unconventional reservoirs became profitable after introducing a well stimulation technique. Some of the analysts expect that shale gas is going to expand worldwide energy supply. However, there is still a lack of an efficient as well as accurate modeling techniques, which can provide a good recovery and production estimates. Gas transports in shale reservoir is a complex process, consisting of slippage effect, gas diffusion along the wall, viscous flow due to the pressure gradient. Conventional industrial simulators are unable to model the flow as the flow doesn’t follow Darcy’s formulation. It is significant to build a unified model considering all given mechanisms for shale reservoir production study and analyze the importance of each mechanism in varied conditions. In this work, a unified mathematical model is proposed for shale gas reservoirs. The proposed model was build based on the dual porosity continuum media model; mass conservation equations for both matrix and fracture systems were build using the dusty gas model. In the matrix, gas desorption, Knudsen diffusion and viscous flow were taken into account. The model was also developed by implementing thermodynamic calculations to correct for the gas compressibility, or to obtain accurate treatment of the multicomponent gas. Previously, the model was built on the idealization of the gas, considering every molecule identical without any interaction. Moreover, the compositional variety of shale gas requires to consider impurities in the gas due to very high variety. Peng-Robinson equation of state was used to com- pute and correct for the gas density to pressure relation by solving the cubic equation to improve the model. The results show that considering the compressibility of the gas will noticeably increase gas production under given reservoir conditions and slow down

  5. Calculation of Absorbed Dose in Target Tissue and Equivalent Dose in Sensitive Tissues of Patients Treated by BNCT Using MCNP4C

    Science.gov (United States)

    Zamani, M.; Kasesaz, Y.; Khalafi, H.; Pooya, S. M. Hosseini

    Boron Neutron Capture Therapy (BNCT) is used for treatment of many diseases, including brain tumors, in many medical centers. In this method, a target area (e.g., head of patient) is irradiated by some optimized and suitable neutron fields such as research nuclear reactors. Aiming at protection of healthy tissues which are located in the vicinity of irradiated tissue, and based on the ALARA principle, it is required to prevent unnecessary exposure of these vital organs. In this study, by using numerical simulation method (MCNP4C Code), the absorbed dose in target tissue and the equiavalent dose in different sensitive tissues of a patiant treated by BNCT, are calculated. For this purpose, we have used the parameters of MIRD Standard Phantom. Equiavelent dose in 11 sensitive organs, located in the vicinity of target, and total equivalent dose in whole body, have been calculated. The results show that the absorbed dose in tumor and normal tissue of brain equal to 30.35 Gy and 0.19 Gy, respectively. Also, total equivalent dose in 11 sensitive organs, other than tumor and normal tissue of brain, is equal to 14 mGy. The maximum equivalent doses in organs, other than brain and tumor, appear to the tissues of lungs and thyroid and are equal to 7.35 mSv and 3.00 mSv, respectively.

  6. Short-cut calculations for integrated product recovery options in fermentative production of bio-bulk chemicals

    NARCIS (Netherlands)

    Oudshoorn, A.; Berg, C. van den; Roelands, C.P.M.; Straathof, A.J.J.; Wielen, L.A.M. van der

    2010-01-01

    Microorganisms are generally sensitive to high concentrations of products that they excrete. Such product inhibition and toxicity effects can significantly be reduced by the integration of fermentations with separation technologies to remove the products continuously. Cost-calculations are required

  7. CALCULATIONS OF DOUBLE IMPURITY DIFFUSION IN INTEGRATED CIRCUIT PRODUCTION

    Directory of Open Access Journals (Sweden)

    V. A. Bondarev

    2005-01-01

    Full Text Available Analytical formulae for calculating simultaneous diffusion of two impurities in silicon are presented. The formulae are based on analytical solutions of diffusion equations that have been obtained for the first time by the author while using some special mathematical functions. In contrast to usual formal mathematical approaches, new functions are determined in the process of investigation of real physical models. Algorithms involve some important relations from thermodynamics of irreversible processes and also variational thermodynamic functionals that were previously obtained by the author for transfer processes. Calculations considerably reduce the time required for development of new integrated circuits. 

  8. Uncertainties in fission-product decay-heat calculations

    Energy Technology Data Exchange (ETDEWEB)

    Oyamatsu, K.; Ohta, H.; Miyazono, T.; Tasaka, K. [Nagoya Univ. (Japan)

    1997-03-01

    The present precision of the aggregate decay heat calculations is studied quantitatively for 50 fissioning systems. In this evaluation, nuclear data and their uncertainty data are taken from ENDF/B-VI nuclear data library and those which are not available in this library are supplemented by a theoretical consideration. An approximate method is proposed to simplify the evaluation of the uncertainties in the aggregate decay heat calculations so that we can point out easily nuclei which cause large uncertainties in the calculated decay heat values. In this paper, we attempt to clarify the justification of the approximation which was not very clear at the early stage of the study. We find that the aggregate decay heat uncertainties for minor actinides such as Am and Cm isotopes are 3-5 times as large as those for {sup 235}U and {sup 239}Pu. The recommended values by Atomic Energy Society of Japan (AESJ) were given for 3 major fissioning systems, {sup 235}U(t), {sup 239}Pu(t) and {sup 238}U(f). The present results are consistent with the AESJ values for these systems although the two evaluations used different nuclear data libraries and approximations. Therefore, the present results can also be considered to supplement the uncertainty values for the remaining 17 fissioning systems in JNDC2, which were not treated in the AESJ evaluation. Furthermore, we attempt to list nuclear data which cause large uncertainties in decay heat calculations for the future revision of decay and yield data libraries. (author)

  9. Isotope Production Facility Conceptual Thermal-Hydraulic Design Review and Scoping Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Pasamehmetoglu, K.O.; Shelton, J.D.

    1998-08-01

    The thermal-hydraulic design of the target for the Isotope Production Facility (IPF) is reviewed. In support of the technical review, scoping calculations are performed. The results of the review and scoping calculations are presented in this report.

  10. Fission products, activity calculation of spent-fuel

    Energy Technology Data Exchange (ETDEWEB)

    Souka, N.; El-Hakiem, M.N.

    1981-01-01

    This work is a scrutiny of the activity of burned up fuel elements of the ET-RR-1. A knowledge of this activity as well as its decay with time is quite helpful in shielding calculations related to construction purposes of hot facilities. The present treatment is based on a knowledge of: fuel composition, percentage burnup, and fission yields of produced isotopes. Cooling periods ranging from 1 hr to 10 years were considered.

  11. Calculations of the effect of boiling water on bitumen production

    Energy Technology Data Exchange (ETDEWEB)

    Wang, J.; Kantzas, A. [Calgary Univ., AB (Canada). Dept. of Chemical and Petroleum Engineering]|[Calgary Univ., AB (Canada). Tomographic Imaging and Porous Media Laboratory; McGee, B. [E-T Energy Limited, Calgary, AB (Canada)

    2006-07-01

    Alberta's vast resources of heavy oil and bitumen are playing an increasing role as a main resource for crude oil. Thermal recovery methods for heavy oil and bitumen include steam injection and steam flooding in which thermal energy is given to the oil to reduce its viscosity and allow it to flow towards a production spot. A viable alternative to steam injection is the electromagnetic heating method for heavy oil and bitumen reservoirs. Electromagnetic heating transfers heat to heavy oil reservoirs based on electromagnetic energy and can be used in situations where steam injection may not work well. The process can also be used to preheat the reservoir before steam injection. This study examined the possible displacement mechanisms of such processes with particular focus on the physics of boiling water in porous media as a potential displacement agent for heavy oil and bitumen. It is very possible that water could vaporize while being electrically heated and the vaporized water could push more heavy oil or bitumen out of reservoir. As such, higher oil recovery could be expected due to water vaporization. The role of water vaporization during electrical heating process was examined and a methodology to estimate the magnitude of incremental oil recovery was developed based on simple conceptual models with numerical simulators and illustrative experiments. The primary contributors of this process appear to be a combination of drainage, imbibition, viscosity reduction and gas expansion. The study showed that the expansion of water into steam could very efficiently flush oil out of pore spaces. It was concluded that water vaporization inside the reservoir can be an additional driving force for heavy oil or bitumen production, and that this alternative to steam injection can offer energy savings for the recovery process. 10 refs., 4 tabs., 6 figs., 1 appendix.

  12. Benchmark calculations on residue production within the EURISOL DS project; Part I: thin targets

    CERN Document Server

    David, J.C; Boudard, A; Doré, D; Leray, S; Rapp, B; Ridikas, D; Thiollière, N

    Report on benchmark calculations on residue production in thin targets. Calculations were performed using MCNPX 2.5.0 coupled to a selection of reaction models. The results were compared to nuclide production cross-sections measured in GSI in inverse kinematics

  13. The Calculation of Material Requirements Based on BOP in Assembly Production

    Institute of Scientific and Technical Information of China (English)

    ZENG Hong-xin; BIN Hong-zan

    2005-01-01

    A calculation method for material requirements which is based on BOP( Bill of Process) in assembly production is presented in this paper. Firstly, the BOP of assembly production is constructed.Then, the calculation method Based on the BOP is brought forward for material requirements planning.

  14. STANDARD CALCULATION PER PRODUCT IN THE CHEMICAL FERTILIZER INDUSTRY

    Directory of Open Access Journals (Sweden)

    Ion Ionescu

    2016-12-01

    Full Text Available The main goal of the research is to present a way of organising the managerial accounting of totally and semi finished product obtained in chemical fertilizer industry entities. For this study, we analyzed the current principle of managerial accounting to an entity in the studied area, in order to emphasize the need of organizing and implementing a modern accounting management to control the cost and increase the performance of the entities in this area, starting from the premise that there are sufficient similarities between entities in the field. Research carried out has revealed that currently, the costing is organized in terms of using traditional methods and that it is necessary to organize and implement an accounting management based on the use of modern methods, namely the method of standard costs combined with the method of centres of costs. The major implications of the proposed system for the investigated field consist of determining a relevant cost-oriented management entity, highlighting the shortcomings of traditional methods of cost

  15. The program for calculation of heat productivity of solar converters with flat collectors

    Energy Technology Data Exchange (ETDEWEB)

    Kazarian, E.; Vrtanessyan, K.; Kazarian, G. [State Engineering University of Armenia, Yerevan (Armenia)

    1997-12-31

    The program for calculation of heat productivity of Solar Converters with flat collectors allows to calculate the parameters of heliosystem taking into account the input data and monthly meteorological data of regions. For solar heat study and predesigning process it is expedient to use a program for flat collectors productivity calculation. That program allows to calculate the collector`s parameters and characteristics proceeding from meteorological input data. Depending on the season of the year that program takes into account the whole absorbed solar energy and determines the coefficient for additional energy for the provision of necessary temperature

  16. 37 CFR 1.779 - Calculation of patent term extension for a veterinary biological product.

    Science.gov (United States)

    2010-07-01

    ... extension for a veterinary biological product. 1.779 Section 1.779 Patents, Trademarks, and Copyrights... Calculation of patent term extension for a veterinary biological product. (a) If a determination is made pursuant to § 1.750 that a patent for a veterinary biological product is eligible for extension, the...

  17. Calculating Program for Decommissioning Work Productivity based on Decommissioning Activity Experience Data

    Energy Technology Data Exchange (ETDEWEB)

    Song, Chan-Ho; Park, Seung-Kook; Park, Hee-Seong; Moon, Jei-kwon [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2014-10-15

    KAERI is performing research to calculate a coefficient for decommissioning work unit productivity to calculate the estimated time decommissioning work and estimated cost based on decommissioning activity experience data for KRR-2. KAERI used to calculate the decommissioning cost and manage decommissioning activity experience data through systems such as the decommissioning information management system (DECOMMIS), Decommissioning Facility Characterization DB System (DEFACS), decommissioning work-unit productivity calculation system (DEWOCS). In particular, KAERI used to based data for calculating the decommissioning cost with the form of a code work breakdown structure (WBS) based on decommissioning activity experience data for KRR-2.. Defined WBS code used to each system for calculate decommissioning cost. In this paper, we developed a program that can calculate the decommissioning cost using the decommissioning experience of KRR-2, UCP, and other countries through the mapping of a similar target facility between NPP and KRR-2. This paper is organized as follows. Chapter 2 discusses the decommissioning work productivity calculation method, and the mapping method of the decommissioning target facility will be described in the calculating program for decommissioning work productivity. At KAERI, research on various decommissioning methodologies of domestic NPPs will be conducted in the near future. In particular, It is difficult to determine the cost of decommissioning because such as NPP facility have the number of variables, such as the material of the target facility decommissioning, size, radiographic conditions exist.

  18. Coalbed Methane Production System Simulation and Deliverability Forecasting: Coupled Surface Network/Wellbore/Reservoir Calculation

    Directory of Open Access Journals (Sweden)

    Jun Zhou

    2017-01-01

    Full Text Available As an unconventional energy, coalbed methane (CBM mainly exists in coal bed with adsorption, whose productivity is different from conventional gas reservoir. This paper explains the wellbore pressure drop, surface pipeline network simulation, and reservoir calculation model of CBM. A coupled surface/wellbore/reservoir calculation architecture was presented, to coordinate the gas production in each calculation period until the balance of surface/wellbore/reservoir. This coupled calculation method was applied to a CBM field for predicting production. The daily gas production increased year by year at the first time and then decreased gradually after several years, while the daily water production was reduced all the time with the successive decline of the formation pressure. The production of gas and water in each well is almost the same when the structure is a star. When system structure is a dendritic surface system, the daily gas production ranked highest at the well which is the nearest to the surface system collection point and lowest at the well which is the farthest to the surface system collection point. This coupled calculation method could be used to predict the water production, gas production, and formation pressure of a CBM field during a period of time.

  19. Benchmark calculations on residue production within the EURISOL DS project; Part II: thick targets

    CERN Document Server

    David, J.-C; Boudard, A; Doré, D; Leray, S; Rapp, B; Ridikas, D; Thiollière, N

    Benchmark calculations on residue production using MCNPX 2.5.0. Calculations were compared to mass-distribution data for 5 different elements measured at ISOLDE, and to specific activities of 28 radionuclides in different places along the thick target measured in Dubna.

  20. Augmentation of ENDF/B fission product gamma-ray spectra by calculated spectra

    Energy Technology Data Exchange (ETDEWEB)

    Katakura, J. (Japan Atomic Energy Research Inst., Tokai-mura, Naka-gun, Ibaraki-ken (Japan)); England, T.R. (Los Alamos National Lab., NM (United States))

    1991-11-01

    Gamma-ray spectral data of the ENDF/B-V fission product decay data file have been augmented by calculated spectra. The calculations were performed with a model using beta strength functions and cascade gamma-ray transitions. The calculated spectra were applied to individual fission product nuclides. Comparisons with several hundred measured aggregate gamma spectra after fission were performed to confirm the applicability of the calculated spectra. The augmentation was extended to a preliminary ENDF/B-VI file, and to beta spectra. Appendix C provides information on the total decay energies for individual products and some comparisons of measured and aggregate values based on the preliminary ENDF/B-VI files. 15 refs., 411 figs.

  1. Calculation of the Solar Activity Effect on the Production Rate of Cosmogenic Radiocarbon in Polar Ice

    CERN Document Server

    Nesterenok, A V

    2012-01-01

    The propagation of cosmic rays in the Earth's atmosphere is simulated. Calculations of the omnidirectional differential flux of neutrons for different solar activity levels are presented. The solar activity effect on the production rate of cosmogenic radiocarbon by the nuclear-interacting and muon components of cosmic rays in polar ice is studied. It has been obtained that the $^{14}C$ production rate in ice by the cosmic ray nuclear-interacting component is lower or higher than the average value by 30% during periods of solar activity maxima or minima, respectively. Calculations of the altitudinal dependence of the radiocarbon production rate in ice by the cosmic ray components are illustrated.

  2. Technical note: Consistent calculation of aquatic gross production from oxygen triple isotope measurements

    Directory of Open Access Journals (Sweden)

    J. Kaiser

    2011-07-01

    Full Text Available Oxygen triple isotope measurements can be used to calculate aquatic gross oxygen production rates. Past studies have emphasised the appropriate definition of the 17O excess and often used an approximation to derive production rates from the 17O excess. Here, I show that the calculation can be phrased more consistently and without any approximations using the relative 17O/16O and 18O/16O isotope ratio differences (delta values directly. I call this the "dual delta method". The 17O excess is merely a mathematical construct and the derived production rate is independent of its definition, provided all calculations are performed with a consistent definition. I focus on the mixed layer, but also show how time series of triple isotope measurements below the mixed layer can be used to derive gross production.

    In the calculation of mixed layer productivity, I explicitly include isotopic fractionation during gas invasion and evasion, which requires the oxygen supersaturation s to be measured as well. I also suggest how bubble injection could be considered in the same mathematical framework. I distinguish between concentration steady state and isotopic steady state and show that only the latter needs to be assumed in the calculation. It is even possible to derive an estimate of the net production rate in the mixed layer that is independent of the assumption of concentration steady state.

    I review measurements of the parameters required for the calculation of gross production rates and show how their systematic uncertainties as well as the use of different published calculation methods can cause large variations in the production rates for the same underlying isotope ratios. In particular, the 17O excess of dissolved O2 in equilibrium with atmospheric O2 and the 17O excess of photosynthetic O2 need to

  3. Consistent calculation of aquatic gross production from oxygen triple isotope measurements

    Directory of Open Access Journals (Sweden)

    J. Kaiser

    2011-04-01

    Full Text Available Oxygen triple isotope measurements can be used to calculate aquatic gross oxygen production rates. Past studies have emphasised the appropriate definition of the 17O excess and often used an approximation to derive production rates from the 17O excess. Here, I show that the calculation can be phrased more consistently and without any approximations using the relative 17O/16O and 18O/16O isotope ratio differences directly. The 17O excess is merely a mathematical construct and the derived production rate is independent of its definition, provided all calculations are performed with a consistent definition. I focus on the mixed layer, but also show how time series of triple oxygen measurements below the mixed layer can be used to derive gross production.

    In the calculation of mixed layer productivity, I explicitly include isotopic fractionation during gas invasion and evasion, which requires the oxygen supersaturation s to be measured as well. I also suggest how bubble injection could be considered in the same mathematical framework. I distinguish between concentration steady state and isotopic steady state and show that only the latter needs to be assumed in the calculation. It is even possible to derive an estimate of the net production rate in the mixed layer that is independent of the assumption of concentration steady state.

    I review measurements of the parameters required for the calculation of gross production rates and show how their systematic uncertainties as well as the use of different published calculation methods can cause large variations in the production rates for the same underlying isotope ratios. In particular, the 17O excess of dissolved O2 in equilibrium with atmospheric O2 and the 17O excess of photosynthetic O2 need to be re-measured. Because of these uncertainties, all

  4. TRANGE: computer code to calculate the energy beam degradation in target stack; TRANGE: programa para calcular a degradacao de energia de particulas carregadas em alvos

    Energy Technology Data Exchange (ETDEWEB)

    Bellido, Luis F.

    1995-07-01

    A computer code to calculate the projectile energy degradation along a target stack was developed for an IBM or compatible personal microcomputer. A comparison of protons and deuterons bombarding uranium and aluminium targets was made. The results showed that the data obtained with TRANGE were in agreement with other computers code such as TRIM, EDP and also using Williamsom and Janni range and stopping power tables. TRANGE can be used for any charged particle ion, for energies between 1 to 100 MeV, in metal foils and solid compounds targets. (author). 8 refs., 2 tabs.

  5. Investigation of the diffusion of atomic fission products in UC by density functional calculations

    Energy Technology Data Exchange (ETDEWEB)

    Bévillon, Émile, E-mail: emile.bevillon@yahoo.fr [IRSN, SEMIC, DPAM, LETR, Centre de Cadarache, 13115 Saint Paul Lez Durance (France); Ducher, Roland; Barrachin, Marc; Dubourg, Roland [IRSN, SEMIC, DPAM, LETR, Centre de Cadarache, 13115 Saint Paul Lez Durance (France)

    2013-03-15

    Activation energies of U and C atoms self-diffusion in UC, as well as activation energies of hetero-diffusion of fission products (FPs) are investigated by first-principles calculations. According to a previous study which showed a likely U site occupation was favoured for all the FPs, their diffusion is restricted to the uranium sublattice of UC in the present study. In this framework, long-range displacements are only possible through a concerted mechanism with a surrounding uranium vacancy. Using the apparent formation energies of the uranium vacancy defect calculated in our previous study and the classical approach used in UO{sub 2} by Andersson et al., the activation energies of the main fission products in the various stoichiometric domains have been calculated. The results are compared to those obtained with the five frequency model applied to two representative fission products, Xe and Zr. Interestingly, despite strong differences of formalism, both models provided similar activation energies.

  6. Investigation of the diffusion of atomic fission products in UC by density functional calculations

    Science.gov (United States)

    Bévillon, Émile; Ducher, Roland; Barrachin, Marc; Dubourg, Roland

    2013-03-01

    Activation energies of U and C atoms self-diffusion in UC, as well as activation energies of hetero-diffusion of fission products (FPs) are investigated by first-principles calculations. According to a previous study which showed a likely U site occupation was favoured for all the FPs, their diffusion is restricted to the uranium sublattice of UC in the present study. In this framework, long-range displacements are only possible through a concerted mechanism with a surrounding uranium vacancy. Using the apparent formation energies of the uranium vacancy defect calculated in our previous study and the classical approach used in UO2 by Andersson et al., the activation energies of the main fission products in the various stoichiometric domains have been calculated. The results are compared to those obtained with the five frequency model applied to two representative fission products, Xe and Zr. Interestingly, despite strong differences of formalism, both models provided similar activation energies.

  7. Accounting for the waterless period of oil production in calculations on oil field production design

    Energy Technology Data Exchange (ETDEWEB)

    Aminov, M.F.; Butorin, O.I.

    1981-01-01

    Formulae on the dynamics of oil and liquid from a methodology developed by the Tatar Scientific-Research and Design Institute for the Oil Industry are adjusted, accounting for the waterless period in oil production. It is demonstrated that the process of accounting for the waterless period in oil production leads to a more accurate prediction of the engineering parameters for mining and oil field.

  8. Carbon Calculator for Land Use Change from Biofuels Production (CCLUB) Users’ Manual and Technical Documentation

    Energy Technology Data Exchange (ETDEWEB)

    Dunn, Jennifer B. [Argonne National Lab. (ANL), Argonne, IL (United States). Energy Systems Division; Qin, Zhangcai [Argonne National Lab. (ANL), Argonne, IL (United States). Energy Systems Division; Mueller, Steffen [Univ. of Illinois, Chicago, IL (United States). Energy Resources Center; Kwon, Ho-young [International Food Policy Research Institute (IFPRI), Washington, DC (United States); Wander, Michelle M. [Univ. of Illinois at Urbana Champaign, Urbana, IL (United States). Dept. of Natural Resources; Wang, Michael [Argonne National Lab. (ANL), Argonne, IL (United States). Energy Systems Division

    2016-09-01

    The $\\underline{C}$arbon $\\underline{C}$alculator for $\\underline{L}$and $\\underline{U}$se Change from $\\underline{B}$iofuels Production (CCLUB) calculates carbon emissions from land use change (LUC) for four different ethanol production pathways including corn grain ethanol and cellulosic ethanol from corn stover, Miscanthus, and switchgrass. This document discusses the version of CCLUB released September 30, 2014 which includes corn and three cellulosic feedstocks: corn stover, Miscanthus, and switchgrass.

  9. Fission Product Decay Heat Calculations for Neutron Fission of 232Th

    Science.gov (United States)

    Son, P. N.; Hai, N. X.

    2016-06-01

    Precise information on the decay heat from fission products following times after a fission reaction is necessary for safety designs and operations of nuclear-power reactors, fuel storage, transport flasks, and for spent fuel management and processing. In this study, the timing distributions of fission products' concentrations and their integrated decay heat as function of time following a fast neutron fission reaction of 232Th were exactly calculated by the numerical method with using the DHP code.

  10. Next-to-leading order SUSY-QCD calculation of associated production of gauginos and gluinos

    Energy Technology Data Exchange (ETDEWEB)

    Berger, Edmond L.; Tait, T.M.P. [Argonne National Laboratory, High Energy Physics Division, Argonne, IL (United States); Klasen, M. [Universitaet Hamburg, II. Institut fuer Theoretische Physik, Hamburg (Germany)

    2001-07-01

    Results are presented of a next-to-leading order calculation in perturbative QCD of the production of charginos and neutralinos in association with gluinos at hadron colliders. Predictions for cross sections are shown at the energies of the Fermilab Tevatron and CERN Large Hadron Collider for a typical supergravity (SUGRA) model of the sparticle mass spectrum and for a light gluino model. (author)

  11. COMPLEX INNER PRODUCT AVERAGING METHOD FOR CALCULATING NORMAL FORM OF ODE

    Institute of Scientific and Technical Information of China (English)

    陈予恕; 孙洪军

    2001-01-01

    This paper puts forward a complex inner product averaging method for calculating normal form of ODE. Compared with conventional averaging method, the theoretic analytical process has such simple forms as to realize computer program easily.Results can be applied in both autonomous and non-autonomous systems. At last, an example is resolved to verify the method.

  12. Preliminary Calculation of the EROI for the Production of Crude Oil and Light Oil Products in Russia

    Directory of Open Access Journals (Sweden)

    Alexander Safronov

    2014-09-01

    Full Text Available Russia is one of the world’s largest producers of energy resources. The production of energy resources in Russia is profitable both economically and in terms of energy production. Currently, Russian oil and gas companies have a policy of increasing energy efficiency, which will led to an increase in the energy return on investment (EROI of both oil and gas production as a whole, and of separate companies in particular. By our calculations, the EROI for oil production in Russia differs for the different companies, and in 2012 was in the range of 22–35:1. The EROI for light oil products in 2012 was in the range of 5–13:1.

  13. FOOD: an interactive code to calculate internal radiation doses from contaminated food products

    Energy Technology Data Exchange (ETDEWEB)

    Baker, D.A.; Hoenes, G.R.; Soldat, J.K.

    1976-01-01

    An interactive code, FOOD, has been written in BASIC for the UNIVAC 1108 to facilitate calculation of internal radiation doses to man from radionuclides in food products. In the dose model, vegetation may be contaminated by either air or irrigation water containing radionuclides. The model considers two mechanisms for radionuclide contamination of vegetation: direct deposition on leaves and uptake from soil through the root system. The user may select up to 14 food categories with corresponding consumption rates, growing periods and either irrigation rates or atmospheric deposition rates. These foods include various kinds of produce, grains and animal products. At present, doses may be calculated for the skin, total body and five internal organs from 190 radionuclides. Dose summaries can be displayed at the local terminal. Further details on percent contribution to dose by nuclide and by food type are available from an auxiliary high-speed printer. This output also includes estimated radionuclide concentrations in soil, plants and animal products.

  14. Comparison of GiBUU calculations with MiniBooNE pion production data

    CERN Document Server

    Lalakulich, Olga

    2013-01-01

    Background. Neutrino-induced pion production can give important informationon the axial coupling to nucleon resonances. Furthermore, pion production represents a major background to quasielastic-like events. Single pion production data from the MiniBooNE in charged current neutrino scattering in mineral oil appeared higher than expected within conventional theoretical approaches. Purpose. We aim to investigate which model parameters affect the calculated cross section and how they do this. Method. The Giessen Boltzmann--Uehling--Uhlenbeck (GiBUU) model is used for an investigation of neutrino-nucleus reactions. Results. Presented are integrated and differential cross sections for 1\\pi^+ and 1\\pi^0 production before and after final state interactions in comparison with the MiniBooNE data. Conclusions. For the MiniBooNE flux all processes (QE, 1\\pi-background, \\Delta, higher resonance production, DIS) contribute to the observed final state with one pion of a given charge. The uncertainty in elementary pion prod...

  15. Comparisons of Neutron Cross Sections and Isotopic Composition Calculations for Fission-Product Evaluations

    Science.gov (United States)

    Kim, Do Heon; Gil, Choong-Sup; Chang, Jonghwa; Lee, Yong-Deok

    2005-05-01

    The neutron absorption cross sections for 18 fission products evaluated within the framework of the KAERI (Korea Atomic Energy Research Institute)-BNL (Brookhaven National Laboratory) international collaboration have been compared with ENDF/B-VI.7. Also, the influence of the new evaluations on the isotopic composition calculations of the fission products has been estimated through the OECD/NEA burnup credit criticality benchmarks (Phase 1B) and the LWR/Pu recycling benchmarks. These calculations were performed by WIMSD-5B with the 69-group libraries prepared from three evaluated nuclear data libraries: ENDF/B-VI.7, ENDF/B-VI.8 including the new evaluations in the resonance region covering the thermal region, and the expected ENDF/B-VII including those in the upper resonance region up to 20 MeV. For Xe-131, the composition calculated with ENDF/B-VI.8 shows a maximum difference of 5.02% compared to ENDF/B-VI.7. However, the isotopic compositions of all the fission products calculated with the expected ENDF/B-VII show no differences when compared to ENDF/B-VI.7 for the thermal reactor benchmark cases.

  16. Application of Origen2.1 in the decay photon spectrum calculation of spallation products

    OpenAIRE

    Hong, Shuang; Yang, Yong-Wei; Xu, Hu-Shan; Meng, Hai-Yan; Zhang, Lu; Liu, Zhao-Qing; Gao, Yu-Cui; Chen, Kang

    2016-01-01

    Origen2.1 is a widely used computer code for calculating the burnup, decay, and processing of radioactive materials. However, the nuclide library of Origen2.1 is used for existing reactors like pressurized water reactor, to calculate the photon spectrum released by the decay of spallation products, we have made specific libraries for the ADS tungsten spallation target, based on the results given by a Monte Carlo code: FLUKA. All the data used to make the Origen2.1 libraries is obtained from N...

  17. Evaluation of fission product worth margins in PWR spent nuclear fuel burnup credit calculations.

    Energy Technology Data Exchange (ETDEWEB)

    Blomquist, R.N.; Finck, P.J.; Jammes, C.; Stenberg, C.G.

    1999-02-17

    Current criticality safety calculations for the transportation of irradiated LWR fuel make the very conservative assumption that the fuel is fresh. This results in a very substantial overprediction of the actual k{sub eff} of the transportation casks; in certain cases, this decreases the amount of spent fuel which can be loaded in a cask, and increases the cost of transporting the spent fuel to the repository. Accounting for the change of reactivity due to fuel depletion is usually referred to as ''burnup credit.'' The US DOE is currently funding a program aimed at establishing an actinide only burnup credit methodology (in this case, the calculated reactivity takes into account the buildup or depletion of a limited number of actinides). This work is undergoing NRC review. While this methodology is being validated on a significant experimental basis, it implicitly relies on additional margins: in particular, the absorption of neutrons by certain actinides and by all fission products is not taken into account. This provides an important additional margin and helps guarantee that the methodology is conservative provided these neglected absorption are known with reasonable accuracy. This report establishes the accuracy of fission product absorption rate calculations: (1) the analysis of European fission product worth experiments demonstrates that fission product cross-sections available in the US provide very good predictions of fission product worth; (2) this is confirmed by a direct comparison of European and US cross section evaluations; (3) accuracy of Spent Nuclear Fuel (SNF) fission product content predictions is established in a recent ORNL report where several SNF isotopic assays are analyzed; and (4) these data are then combined to establish in a conservative manner the fraction of the predicted total fission product absorption which can be guaranteed based on available experimental data.

  18. Classification and calculation of primary failure modes in bread production line

    Energy Technology Data Exchange (ETDEWEB)

    Tsarouhas, Panagiotis H. [Department of Standardization and Transportation of Products-Logistics, Alexander Technological Educational Institute of Thessaloniki, Agiou Dimitriou 93, 60100 Katerini, Hellas (Greece)], E-mail: ptsarouh@teilam.gr

    2009-02-15

    In this study, we describe the classification methodology over a 2-year period of the primary failure modes in categories based on failure data of bread production line. We estimate the probabilities of these categories applying the chi-square goodness of fit test, and we calculate their joint probabilities of mass function at workstation and line level. Then, we present numerical examples in order to predict the causes and frequencies of breakdowns for workstations and for the entire bread production line that will occur in the future. The methodology is meant to guide bread and bakery product manufacturers, improving the operation of the production lines. It can also be a useful tool to maintenance engineers, who wish to analyze and improve the reliability and efficiency of the manufacturing systems.

  19. Calculation of energy deposition, photon and neutron production in proton therapy of thyroid gland using MCNPX.

    Science.gov (United States)

    Mowlavi, Ali Asghar; Fornasie, Maria Rosa; de Denaro, Mario

    2011-01-01

    In this study, the MCNPX code has been used to simulate a proton therapy in thyroid gland, in order to calculate the proton energy deposition in the target region. As well as, we have calculated the photon and neutron production spectra due to proton interactions with the tissue. We have considered all the layers of tissue, from the skin to the thyroid gland, and an incident high energy pencil proton beam. The results of the simulation show that the best proton energy interval, to cover completely the thyroid tissue, is from 42 to 54 MeV, assuming that the thyroid gland has a 14 mm thickness and is located 11.2mm under the skin surface. The most percentage of deposited energy (78%) is related to the 54 MeV proton energy beam. Total photon and neutron production are linear and polynomial second order functions of the proton energy, respectively.

  20. Application of Origen2.1 in the decay photon spectrum calculation of spallation products

    CERN Document Server

    Hong, Shuang; Xu, Hu-Shan; Meng, Hai-Yan; Zhang, Lu; Liu, Zhao-Qing; Gao, Yu-Cui; Chen, Kang

    2016-01-01

    Origen2.1 is a widely used computer code for calculating the burnup, decay, and processing of radioactive materials. However, the nuclide library of Origen2.1 is used for existing reactors like pressurized water reactor, to calculate the photon spectrum released by the decay of spallation products, we have made specific libraries for the ADS tungsten spallation target, based on the results given by a Monte Carlo code: FLUKA. All the data used to make the Origen2.1 libraries is obtained from Nuclear structure & decay Data (NuDat2.6). The accumulated activity of spallation products and the contribution of nuclides to photon emission are given in this paper.

  1. Fission product inventory calculation by a CASMO/ORIGEN coupling program

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Do Heon; Kim, Jong Kyung [Hanyang University, Seoul (Korea, Republic of); Choi, Hang Bok; Roh, Gyu Hong; Jung, In Ha [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1997-12-31

    A CASMO/ORIGEN coupling utility program was developed to predict the composition of all the fission products in spent PWR fuels. The coupling program reads the CASMO output file, modifies the ORIGEN cross section library and reconstructs the ORIGEN input file at each depletion step. In ORIGEN, the burnup equation is solved for actinides and fission products based on the fission reaction rates and depletion flux of CASMO. A sample calculation has been performed using a 14 x 14 PWR fuel assembly and the results are given in this paper. 3 refs., 1 fig., 1 tab. (Author)

  2. Method of calculation of tanks forced ventilation from the remnants of liquid products

    Directory of Open Access Journals (Sweden)

    С. О. Пузік

    2013-07-01

    Full Text Available The advantages of gasoline compared to other petroleum products in terms of feasibility of their research. Calculations of the duration of ventilation and changes in the concentration of vapors of gasoline remains in the gas space of the vertical tank with a capacity of 1000 m3 (RUS-1000. Nomogram constructed for the quantitative forecast available liquid balances petrol A-95 and the time duration ventylyaiyi RUS-1000 from the remnants of the petrol

  3. Implementation of a Thermodynamic Solver within a Computer Program for Calculating Fission-Product Release Fractions

    Science.gov (United States)

    Barber, Duncan Henry

    During some postulated accidents at nuclear power stations, fuel cooling may be impaired. In such cases, the fuel heats up and the subsequent increased fission-gas release from the fuel to the gap may result in fuel sheath failure. After fuel sheath failure, the barrier between the coolant and the fuel pellets is lost or impaired, gases and vapours from the fuel-to-sheath gap and other open voids in the fuel pellets can be vented. Gases and steam from the coolant can enter the broken fuel sheath and interact with the fuel pellet surfaces and the fission-product inclusion on the fuel surface (including material at the surface of the fuel matrix). The chemistry of this interaction is an important mechanism to model in order to assess fission-product releases from fuel. Starting in 1995, the computer program SOURCE 2.0 was developed by the Canadian nuclear industry to model fission-product release from fuel during such accidents. SOURCE 2.0 has employed an early thermochemical model of irradiated uranium dioxide fuel developed at the Royal Military College of Canada. To overcome the limitations of computers of that time, the implementation of the RMC model employed lookup tables to pre-calculated equilibrium conditions. In the intervening years, the RMC model has been improved, the power of computers has increased significantly, and thermodynamic subroutine libraries have become available. This thesis is the result of extensive work based on these three factors. A prototype computer program (referred to as SC11) has been developed that uses a thermodynamic subroutine library to calculate thermodynamic equilibria using Gibbs energy minimization. The Gibbs energy minimization requires the system temperature (T) and pressure (P), and the inventory of chemical elements (n) in the system. In order to calculate the inventory of chemical elements in the fuel, the list of nuclides and nuclear isomers modelled in SC11 had to be expanded from the list used by SOURCE 2.0. A

  4. New calculation of antiproton production by cosmic ray protons and nuclei

    CERN Document Server

    Kachelriess, Michael; Ostapchenko, Sergey S

    2015-01-01

    A dramatic increase in the accuracy and statistics of space-borne cosmic ray (CR) measurements has yielded several breakthroughs over the last several years. The most puzzling is the rise in the positron fraction above ~10 GeV over the predictions of the propagation models assuming pure secondary production. The accuracy of the antiproton production cross section is critical for astrophysical applications and searches for new physics since antiprotons in CRs seem to hold the keys to many puzzles including the origin of those excess positrons. However, model calculations of antiproton production in CR interactions with interstellar gas are often employing parameterizations that are out of date or are using outdated physical concepts. That may lead to an incorrect interpretation of antiproton data which could have broad consequences for other areas of astrophysics. In this work, we calculate antiproton production in pp-, pA-, and AA-interactions using EPOS-LHC and QGSJET-II-04, two of the most advanced Monte Ca...

  5. Primary production calculations for sea ice from bio-optical observations in the Baltic Sea

    Directory of Open Access Journals (Sweden)

    Susann Müller

    2016-09-01

    Full Text Available Abstract Bio-optics is a powerful approach for estimating photosynthesis rates, but has seldom been applied to sea ice, where measuring photosynthesis is a challenge. We measured absorption coefficients of chromophoric dissolved organic matter (CDOM, algae, and non-algal particles along with solar radiation, albedo and transmittance at four sea-ice stations in the Gulf of Finland, Baltic Sea. This unique compilation of optical and biological data for Baltic Sea ice was used to build a radiative transfer model describing the light field and the light absorption by algae in 1-cm increments. The maximum quantum yields and photoadaptation of photosynthesis were determined from 14C-incorporation in photosynthetic-irradiance experiments using melted ice. The quantum yields were applied to the radiative transfer model estimating the rate of photosynthesis based on incident solar irradiance measured at 1-min intervals. The calculated depth-integrated mean primary production was 5 mg C m–2 d–1 for the surface layer (0–20 cm ice depth at Station 3 (fast ice and 0.5 mg C m–2 d–1 for the bottom layer (20–57 cm ice depth. Additional calculations were performed for typical sea ice in the area in March using all ice types and a typical light spectrum, resulting in depth-integrated mean primary production rates of 34 and 5.6 mg C m–2 d–1 in surface ice and bottom ice, respectively. These calculated rates were compared to rates determined from 14C incorporation experiments with melted ice incubated in situ. The rate of the calculated photosynthesis and the rates measured in situ at Station 3 were lower than those calculated by the bio-optical algorithm for typical conditions in March in the Gulf of Finland by the bio-optical algorithm. Nevertheless, our study shows the applicability of bio-optics for estimating the photosynthesis of sea-ice algae.

  6. Walking in the woods with quantum chemistry--applications of quantum chemical calculations in natural products research.

    Science.gov (United States)

    Tantillo, Dean J

    2013-08-01

    This Highlight describes applications of quantum chemical calculations to problems in natural products chemistry, including the elucidation of natural product structures (distinguishing between constitutional isomers, distinguishing between diastereomers, and assigning absolute configuration) and determination of reasonable mechanisms for their formation.

  7. Preliminary Calculation of the EROI for the Production of Gas in Russia

    Directory of Open Access Journals (Sweden)

    Roman Nogovitsyn

    2014-09-01

    Full Text Available Russia is one of the world’s largest producers of energy resources. Production of energy resources in Russia is profitable, both economically and in terms of the energy produced (as measured by EROI. At the present time, Russian oil and gas companies have a policy of energy saving, and data on energy consumption is given in annual reports. Based on these data, we can make the EROI calculation. In 2013, the EROI for the production, transportation and processing of gas for Open joint stock company (OJSC “Gazprom” was 79:1; for OJSC “NOVATEK”, 76:1; for OJSC “Yakutsk Fuel and Energy Company (YATEC”, only for production, 116:1. Currently, the situation in the oil and gas industry has come to a point when there is a need for the introduction of an energy audit.

  8. Nuclear data production, calculation and measurement: a global overview of the gamma heating issue

    Directory of Open Access Journals (Sweden)

    Gueton O.

    2013-03-01

    Full Text Available The gamma heating evaluation in different materials found in current and future generations of nuclear reactor (EPRTM, GENIV, MTR-JHR, is becoming an important issue especially for the design of many devices (control rod, heavy reflector, in-core & out-core experiments…. This paper deals with the works started since 2009 in the Reactor Studies Department of CEA Cadarache in ordre to answer to several problematic which have been identified as well for nuclear data production and calculation as for experimental measurement methods. The selected subjects are: Development of a Monte Carlo code (FIFRELIN to simulate the prompt fission gamma emission which represents the major part of the gamma heating production inside the core Production and qualification of new evaluations of nuclear data especially for radiative capture and inelastic neutron scattering which are the main sources of gamma heating out-core Development and qualification of a recommended method for the total gamma heating calculation using the Monte Carlo simulation code TRIPOLI-4 Development, test and qualification of new devices dedicated to the in-core gamma heating measurement as well in MTR-JHR as in zero power facilities (EOLE-MINERVE of CEA, Cadarache to increase the experimental measurement accuracy.

  9. Application of Thermodynamic Calculations to the Pyro-refining Process for Production of High Purity Bismuth

    Science.gov (United States)

    Mezbahul-Islam, Mohammad; Belanger, Frederic; Chartrand, Patrice; Jung, In-Ho; Coursol, Pascal

    2017-02-01

    The present work has been performed with the aim to optimize the existing process for the production of high purity bismuth (99.999 pct). A thermo-chemical database including most of the probable impurities of bismuth (Bi-X, X = Ag, Au, Al, Ca, Cu, Fe, Mg, Mn, Na, Ni, Pb, S, Sb, Sn, Si, Te, Zn) has been constructed to perform different thermodynamic calculations required for the refining process. Thermodynamic description for eight of the selected binaries, Bi-Ca, Cu, Mn, Ni, Pb, S, Sb, and Sn, has been given in the current paper. Using the current database, different thermodynamic calculations have been performed to explain the steps involved in the bismuth refining process.

  10. Carbon Calculator for Land Use Change from Biofuels Production (CCLUB). Users' Manual and Technical Documentation

    Energy Technology Data Exchange (ETDEWEB)

    Dunn, Jennifer B. [Argonne National Lab. (ANL), Argonne, IL (United States); Qin, Zhangcai [Argonne National Lab. (ANL), Argonne, IL (United States); Mueller, Steffen [Univ. of Illinois at Chicago, Chicago, IL (United States); Kwon, Ho-young [International Food Policy Research Institute (IFPRI), Washington, DC (United States); Wander, Michelle M. [Univ. of Illinois, Urbana-Champaign, IL (United States); Wang, Michael [Argonne National Lab. (ANL), Argonne, IL (United States)

    2014-09-01

    The Carbon Calculator for Land Use Change from Biofuels Production (CCLUB) calculates carbon emissions from land use change (LUC) for four different ethanol production pathways including corn grain ethanol and cellulosic ethanol from corn stover, Miscanthus, and switchgrass. This document discusses the version of CCLUB released September 30, 2014 which includes corn and three cellulosic feedstocks: corn stover, Miscanthus, and switchgrass.

  11. Using symmetry-adapted optimized sum-of-products basis functions to calculate vibrational spectra

    CERN Document Server

    Leclerc, Arnaud

    2016-01-01

    Vibrational spectra can be computed without storing full-dimensional vectors by using low-rank sum-of-products (SOP) basis functions. We introduce symmetry constraints in the SOP basis functions to make it possible to separately calculate states in different symmetry subgroups. This is done using a power method to compute eigenvalues and an alternating least squares method to optimize basis functions. Owing to the fact that the power method favours the convergence of the lowest states, one must be careful not to exclude basis functions of some symmetries. Exploiting symmetry facilitates making assignments and improves the accuracy. The method is applied to the acetonitrile molecule.

  12. Beam line shielding calculations for an Electron Accelerator Mo-99 production facility

    Energy Technology Data Exchange (ETDEWEB)

    Mocko, Michal [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-05-03

    The purpose of this study is to evaluate the photon and neutron fields in and around the latest beam line design for the Mo-99 production facility. The radiation dose to the beam line components (quadrupoles, dipoles, beam stops and the linear accelerator) are calculated in the present report. The beam line design assumes placement of two cameras: infra red (IR) and optical transition radiation (OTR) for continuous monitoring of the beam spot on target during irradiation. The cameras will be placed off the beam axis offset in vertical direction. We explored typical shielding arrangements for the cameras and report the resulting neutron and photon dose fields.

  13. A particle-hole calculation for pion production in relativistic heavy-ion collisions

    Science.gov (United States)

    Norbury, J. W.; Deutchman, P. A.; Townsend, L. W.

    1985-01-01

    A differential cross section for pi-meson production in peripheral heavy-ion collisions is formulated within the context of a particle-hole model in the Tamm-Dancoff approximation. This is the first attempt at a fully quantum-mechanical particle-hole calculation for pion production in relativistic heavy-ion collisions. The particular reaction studied is an O-16 projectile colliding with a C-12 target at rest. In the projectile a linear combination of isobar-hole states is formed, with the possibility of a coherent isobar giant resonance. The target can be excited to its giant M1 resonance (J-pi = 1(+), T = 1) at 15.11 MeV, or to its isobar analog neighbors, B-12 at 13.4 MeV and N-12 at 17.5 MeV. The theory is compared to recent experimental results.

  14. Development of HyPEP, A Hydrogen Production Plant Efficiency Calculation Program

    Energy Technology Data Exchange (ETDEWEB)

    C. H. Oh; C. B. Davis; S. R. Sherman; S. Vilim; Y. J. Lee; W. J. Lee

    2006-03-01

    The Department of Energy envisions the next generation very high temperature gas-cooled reactor (VHTR) as a single-purpose or dual-purpose facility that produces hydrogen and electricity. The Ministry of Science and Technology (MOST) of the Republic of Korea also selected VHTR for the Nuclear Hydrogen Development and Demonstration (NHDD) Project. The report will address the evaluation of hydrogen and electricity production cycle efficiencies for such systems as the VHTR and NHDD, and the optimization of system configurations. Optimization of such complex systems as VHTR and NHDD will require a large number of calculations involving a large number of operating parameter variations and many different system configurations. The research will produce (a) the HyPEP which is specifically designed to be an easy-to-use and fast running tool for the hydrogen and electricity production evaluation with flexible system layout, (b) thermal hydraulic calculations using reference design, (c) verification and validation of numerical tools used in this study, (d) transient analyses during start-up operation and off-normal operation. This project will also produce preliminary cost estimates of the major components.

  15. FORMATION OF EXPENSES AND CALCULATION OF COST PRICE LIVESTOCK PRODUCTS IN MANAGEMENT ACCOUNTING SYSTEM

    Directory of Open Access Journals (Sweden)

    Azieva Z. I.

    2016-09-01

    Full Text Available In order to effectively manage the organization senior managers need information on the performance of the centers of responsibility and profitability of major products. Therefore, the leadership task is to select a cost accounting system, which would provide the information needed to assess economic performance and management of the various departments. In the article, we consider the concept of methods of calculation of the cost price of livestock products by a direct-costing system, its feature, rationality and also shortcomings and dignity in current economic conditions. Based on the theoretical literature of national scientists on the overhead allocation methods, the authors developed the stages of distribution of indirect expenses between the objects of calculation. Based on the data of "Nezamaevskoe" we specify the composition and structure of costs in dairy farming that improve analytic accounting, and on this basis the validity of management decisions; a classification of costs underlying the modeling of accounting management. The authors proposed a method of accounting of variable and fixed costs in accounting and reflected in the accounting system of marginal income, as well as recommendations to improve the organization of management accounting costs

  16. Calculation of isotopic mass and energy production by a matrix operator method. [Volterra method of the multiplicative integral

    Energy Technology Data Exchange (ETDEWEB)

    Lee, C.E.

    1976-08-01

    The Volterra method of the multiplicative integral is used to determine the isotopic density, mass, and energy production in linear systems. The solution method, assumptions, and limitations are discussed. The method allows a rapid accurate calculation of the change in isotopic density, mass, and energy production independent of the magnitude of the time steps, production or decay rates, or flux levels.

  17. Calculating Wind Farm Production in Al-Shihabi (South Of Iraq Using WASP

    Directory of Open Access Journals (Sweden)

    Amani I.Al-Tmimi

    2016-08-01

    Full Text Available The Wind Turbine farms are becoming popular in the renewable energy world. In this research, the Wind Atlas Analysis and Application Program (WAsP has been used to estimate wind power density in Al-Shihabi (south of Iraq. All statistical operations on data series are obtained from Field data collected from the wind measurement towers which installed by the Science and Technology Ministry at Kut city south of IRAQ at three heights (10, 30, 50 m. The wind turbine selected for this study to be installed in the wind farm are Bonus- 300kw, 600kw The Annual Energy Production (AEP has been calculate which varies between (746.990 - 759.446 MWH at 30 m and it s varies between produced AEP (1.576 - 1.600 GWh at 50 m ,this site classified as ( class-1.

  18. Multi-reaction-channel fitting calculations in a coupled-channel model: Photoinduced strangeness production

    Indian Academy of Sciences (India)

    O Scholten; A Usov

    2010-08-01

    To describe photo- and meson-induced reactions on the nucleon, one is faced with a rather extensive coupled-channel problem. Ignoring the effects of channel coupling, as one would do in describing a certain reaction at the tree level, invariably creates a large inconsistency between the different reactions that are described. In addition, the imaginary parts of the amplitude, which are related through the optical theorem, to total cross-sections, are directly reflected in certain polarization observables. Performing a full coupled-channel calculation thus offers the possibility to implement the maximum number of constraints. The drawback one is faced with is to arrive at a simultaneous fit of a large number of reaction channels. While some of the parameters are common to many reactions, one is still faced with the challenge to optimize a large number of parameters in a highly non-linear calculation. Here we show that such an approach is possible and present some results for photoinduced strangeness production.

  19. Calculation of Radioactivity and Dose Rate of Activated Corrosion Products in Water-Cooled Fusion Reactor

    Directory of Open Access Journals (Sweden)

    Jingyu Zhang

    2016-01-01

    Full Text Available In water-cooled reactor, the dominant radioactive source term under normal operation is activated corrosion products (ACPs, which have an important impact on reactor inspection and maintenance. A three-node transport model of ACPs was introduced into the new version of ACPs source term code CATE in this paper, which makes CATE capable of theoretically simulating the variation and the distribution of ACPs in a water-cooled reactor and suitable for more operating conditions. For code testing, MIT PWR coolant chemistry loop was simulated, and the calculation results from CATE are close to the experimental results from MIT, which means CATE is available and credible on ACPs analysis of water-cooled reactor. Then ACPs in the blanket cooling loop of water-cooled fusion reactor ITER under construction were analyzed using CATE and the results showed that the major contributors are the short-life nuclides, especially Mn-56. At last a point kernel integration code ARShield was coupled with CATE, and the dose rate around ITER blanket cooling loop was calculated. Results showed that after shutting down the reactor only for 8 days, the dose rate decreased nearly one order of magnitude, which was caused by the rapid decay of the short-life ACPs.

  20. Numerical Simulation of Muzzle Flow Field Based on Calculation of Combustion Productions in Bore

    Institute of Scientific and Technical Information of China (English)

    Liang Wang∗,Houqian Xu,Wei Wu; Rui Xue

    2015-01-01

    To improve the accuracy of numerical simulation of muzzle chemical flow field, and study the gunpowder combustion productions, the muzzle flow field is simulated coupled with the calculation of combustion productions in bore. The calculation in bore uses the gibbs free⁃energy minimization method and the classical interior ballistics model. The simulation of the muzzle flow field employs the multi⁃component ALE ( Arbitrary Lagrange⁃Euler ) equations. Computations are performed for a 12�7 mm gun. From 2�48 ms to 3�14 ms, the projectile moves in the gun barrel. CO and H2 O masses decrease by 3�37% and 6�51%, and H2 and CO2 masses increase by 11�11% and 10�58%. The changes conform to the fact that the water⁃gas equilibrium reaction of all reactions plays a dominant role in this phase. After the projectile leaves the barrel, the masses of H2 and CO decrease, and the masses of H2 O and CO2 increase. When it moves to 80d away from the muzzle, the decreases are 12�75% and 8�05%, and the increases are 12�76% and 36�26%, which tallies with the existence of muzzle flame. Further, CO and H2 burn more and more fiercely with the muzzle pressure pg increasing, and burn more and more weakly with the altitude rising. When two projectiles launch in series, the combustion of the second projectile muzzle flow field is fiercer than the first projectile. Analysis results have shown that the proposed method is effective for simulating the muzzle flow filed.

  1. Aqueous photodegradation of 4-tert-butylphenol: By-products, degradation pathway and theoretical calculation assessment

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Yanlin [State Key Laboratory of Pollution Control and Resources Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092 (China); Shi, Jin; Chen, Hongche [Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention, Department of Environmental Science & Engineering, Fudan University, Shanghai 200433 (China); Zhao, Jianfu [State Key Laboratory of Pollution Control and Resources Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092 (China); Dong, Wenbo, E-mail: wbdong@fudan.edu.cn [Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention, Department of Environmental Science & Engineering, Fudan University, Shanghai 200433 (China)

    2016-10-01

    4-tert-butylphenol (4-t-BP), an endocrine disrupting chemical, is widely distributed in natural bodies of water but is difficult to biodegrade. In this study, we focused on the transformation of 4-t-BP in photo-initiated degradation processes. The steady-state photolysis and laser flash photolysis (LFP) experiments were conducted in order to elucidate its degradation mechanism. Identification of products was performed using the GC–MS, LC-MS and theoretical calculation techniques. The oxidation pathway of 4-t-BP by hydroxyl radical (HO·) was also studied and H{sub 2}O{sub 2} was added to produce HO·. 4-tert-butylcatechol and 4-tert-butylphenol dimer were produced in 4-t-BP direct photolysis. 4-tert-butylcatechol and hydroquinone were produced by the oxidation of HO·. But the formation mechanism of 4-tert-butylcatechol in the two processes was different. The benzene ring was fractured in 4-t-BP oxidation process and 29% of TOC was degraded after 16 h irradiation. - Highlights: • Photodegradation of 4-t-BP, an endocrine disrupting chemical, has been investigated. • 3 stable byproducts were identified from photolysis and oxidation processes. • 5 transient by-products were concluded from LFP experiments. • The theoretical calculation was performed to confirm the byproducts. • 4-t-BP was degraded with increasing efficiency: 254 nm < H{sub 2}O{sub 2}/313 nm < H{sub 2}O{sub 2}/254 nm.

  2. A simplified approach to calculate slurry production of growing pigs at farm level

    Directory of Open Access Journals (Sweden)

    Franco Tagliapietra

    2010-01-01

    Full Text Available A simplified approach to predict the amount of slurry produced by growing pigs at farm level is proposed. The inputs are initial (LWi and final (LWf live weights, production (t and empty (empty periods, feed consumption (FC, dry matter (DMD, N digestibilities and farm water consumption per pig (FWC. Estimates of the amount of water required (or arisen per kg of feed for the various physiological functions were estimated by running a published mathematical model using data representing the ordinary conditions of rearing. Water excretion was estimated in two ways depending on: 1 free access (ad lib to water; 2 restricted access (forced. In the first case, the proportion of water consumed (wiad lib and those excreted with the urine (wuad lib and the faeces (wfec were quantified to be 2.9, 1.72 and 0.33 kg per kg of feed, respectively. From the urinary excretions of N and minerals, obtained as the difference between the digestible nutrient intakes and the retentions, the model predicted a urinary DM content of 2.1% (by weight. In the second case, for pigs receiving drinking water in forced ratio with the feed (wiforced, the urinary production was calculated as wuforced=(wiforced+wf+wo-(wd+ws+wg+wfec+we, where wf=water content in feed (0.12 kg/kg, wo=water arising from nutrient oxidation (0.25 kg/kg, wd=water required for digestion (0.08 kg/kg, ws=water demand for protein and lipid synthesis (0.06 kg/kg, wg=water retained in body tissues (0.14 kg/kg and we=water lost through evaporation (0.96 kg/kg. Estimates of fresh slurry production (faeces+urine were regressed against the values resulting from empirical literature equations and referred to pigs fed water:feed ratios of 2.5:1, 2.9:1 and 4:1. The resulting regression (R2=0.97, with a slope close to unity (1.05, indicated that the approach can be extended to predict the farm fresh slurry production with pigs having free access to water or kept on different water:feed ratios. In agreement with

  3. HyPEP-FY 07 Annual Report: A Hydrogen Production Plant Efficiency Calculation Program

    Energy Technology Data Exchange (ETDEWEB)

    Chang Oh

    2007-09-01

    The Very High Temperature Gas-Cooled Reactor (VHTR) coupled to the High Temperature Steam Electrolysis (HTSE) process is one of two reference integrated systems being investigated by the U.S. Department of Energy and Idaho National Laboratory for the production of hydrogen. In this concept the VHTR outlet temperature of 900 °C provides thermal energy and high efficiency electricity for the electrolysis of steam in the HTSE process. In the second reference system the Sulfur Iodine (SI) process is coupled to the VHTR to produce hydrogen thermochemically. In the HyPEP project we are investigating and characterizing these two reference systems with respect to production, operability, and safety performance criteria. Under production, plant configuration and working fluids are being studied for their effect on efficiency. Under operability, control strategies are being developed with the goal of maintaining equipment within operating limits while meeting changes in demand. Safety studies are to investigate plant response for equipment failures. Specific objectives in FY07 were (1) to develop HyPEP Beta and verification and validation (V&V) plan, (2) to perform steady state system integration, (3) to perform parametric studies with various working fluids and power conversion unit (PCU) configurations, (4) the study of design options such as pressure, temperature, etc. (5) to develop a control strategy and (6) to perform transient analyses for plant upsets, control strategy, etc for hydrogen plant with PCU. This report describes the progress made in FY07 in each of the above areas. (1) The HyPEP code numeric scheme and Graphic User Interface have been tested and refined since the release of the alpha version a year ago. (2) The optimal size and design condition for the intermediate heat exchanger, one of the most important components for integration of the VHTR and HTSE plants, was estimated. (3) Efficiency calculations were performed for a variety of working fluids for

  4. Precision calculations for gauge-boson pair production with a hadronic jet at hadron colliders

    Energy Technology Data Exchange (ETDEWEB)

    Kallweit, Stefan

    2008-11-21

    Gauge-boson pair-production processes with an additional hadronic jet are of particular interest as background to Higgs and new-physics searches at hadron colliders. Moreover, they enable - besides genuine gauge-boson pair production - a direct analysis of the non-Abelian gauge-boson self-interactions in the electroweak sector. In this work we provide precision calculations for the processes pp/p anti p {yields} VV+jet+X. In detail, corrections to WW+jet, ZZ+jet, and WZ+jet production are evaluated at next-to-leading-order in the strong coupling (NLO QCD). Particular care has to be taken when treating the infrared singularities arising in the virtual and real corrections. The FormCalc/LoopTools package is applied for the virtual corrections, where dimensionally regularized infrared-divergent integrals are added to the FF library which is used for the regular ones. The real-emission matrix elements are evaluated in terms of helicity amplitudes in the Weyl--van-der-Waerden formalism. The Catani--Seymour dipole subtraction formalism mediates the cancellation of infrared divergences between the two contributions. To perform the numerical integration a multi-channel Monte Carlo integrator is written in C++, which is designed to meet the requirements of integrating cross sections in the dipole subtraction formalism. For all gauge-boson assignments, the NLO QCD corrections significantly stabilize the artificial dependence of the leading-order (LO) cross sections on renormalization and factorization scales for Tevatron. For LHC, however, only a modest reduction of the scale dependence results unless a veto on a second hard jet is applied. Beyond investigating the production processes, leptonic decays of the gauge bosons are considered. To this end, a full amplitude calculation including resonant and non-resonant contributions to the leptonic final states, a simple narrow-width approximation (NWA), and an improved version of the NWA that takes into account spin correlations

  5. EARLINET Single Calculus Chain - technical - Part 2: Calculation of optical products

    Science.gov (United States)

    Mattis, Ina; D'Amico, Giuseppe; Baars, Holger; Amodeo, Aldo; Madonna, Fabio; Iarlori, Marco

    2016-07-01

    In this paper we present the automated software tool ELDA (EARLINET Lidar Data Analyzer) for the retrieval of profiles of optical particle properties from lidar signals. This tool is one of the calculus modules of the EARLINET Single Calculus Chain (SCC) which allows for the analysis of the data of many different lidar systems of EARLINET in an automated, unsupervised way. ELDA delivers profiles of particle extinction coefficients from Raman signals as well as profiles of particle backscatter coefficients from combinations of Raman and elastic signals or from elastic signals only. Those analyses start from pre-processed signals which have already been corrected for background, range dependency and hardware specific effects. An expert group reviewed all algorithms and solutions for critical calculus subsystems which are used within EARLINET with respect to their applicability for automated retrievals. Those methods have been implemented in ELDA. Since the software was designed in a modular way, it is possible to add new or alternative methods in future. Most of the implemented algorithms are well known and well documented, but some methods have especially been developed for ELDA, e.g., automated vertical smoothing and temporal averaging or the handling of effective vertical resolution in the case of lidar ratio retrievals, or the merging of near-range and far-range products. The accuracy of the retrieved profiles was tested following the procedure of the EARLINET-ASOS algorithm inter-comparison exercise which is based on the analysis of synthetic signals. Mean deviations, mean relative deviations, and normalized root-mean-square deviations were calculated for all possible products and three height layers. In all cases, the deviations were clearly below the maximum allowed values according to the EARLINET quality requirements.

  6. 19 CFR 351.407 - Calculation of constructed value and cost of production.

    Science.gov (United States)

    2010-04-01

    ... actual production experience of the merchandise in question, measuring production on the basis of units... production costs to be items such as depreciation of equipment and plant, labor costs, insurance, rent and... production. 351.407 Section 351.407 Customs Duties INTERNATIONAL TRADE ADMINISTRATION, DEPARTMENT OF...

  7. Matrix product state calculations for one-dimensional quantum chains and quantum impurity models

    Energy Technology Data Exchange (ETDEWEB)

    Muender, Wolfgang

    2011-09-28

    This thesis contributes to the field of strongly correlated electron systems with studies in two distinct fields thereof: the specific nature of correlations between electrons in one dimension and quantum quenches in quantum impurity problems. In general, strongly correlated systems are characterized in that their physical behaviour needs to be described in terms of a many-body description, i.e. interactions correlate all particles in a complex way. The challenge is that the Hilbert space in a many-body theory is exponentially large in the number of particles. Thus, when no analytic solution is available - which is typically the case - it is necessary to find a way to somehow circumvent the problem of such huge Hilbert spaces. Therefore, the connection between the two studies comes from our numerical treatment: they are tackled by the density matrix renormalization group (DMRG) and the numerical renormalization group (NRG), respectively, both based on matrix product states. The first project presented in this thesis addresses the problem of numerically finding the dominant correlations in quantum lattice models in an unbiased way, i.e. without using prior knowledge of the model at hand. A useful concept for this task is the correlation density matrix (CDM) which contains all correlations between two clusters of lattice sites. We show how to extract from the CDM, a survey of the relative strengths of the system's correlations in different symmetry sectors as well as detailed information on the operators carrying long-range correlations and the spatial dependence of their correlation functions. We demonstrate this by a DMRG study of a one-dimensional spinless extended Hubbard model, while emphasizing that the proposed analysis of the CDM is not restricted to one dimension. The second project presented in this thesis is motivated by two phenomena under ongoing experimental and theoretical investigation in the context of quantum impurity models: optical absorption

  8. A spreadsheet calculator for estimating biogas production and economic measures for UK-based farm-fed anaerobic digesters.

    Science.gov (United States)

    Wu, Anthony; Lovett, David; McEwan, Matthew; Cecelja, Franjo; Chen, Tao

    2016-11-01

    This paper presents a spreadsheet calculator to estimate biogas production and the operational revenue and costs for UK-based farm-fed anaerobic digesters. There exist sophisticated biogas production models in published literature, but the application of these in farm-fed anaerobic digesters is often impractical. This is due to the limited measuring devices, financial constraints, and the operators being non-experts in anaerobic digestion. The proposed biogas production model is designed to use the measured process variables typically available at farm-fed digesters, accounting for the effects of retention time, temperature and imperfect mixing. The estimation of the operational revenue and costs allow the owners to assess the most profitable approach to run the process. This would support the sustained use of the technology. The calculator is first compared with literature reported data, and then applied to the digester unit on a UK Farm to demonstrate its use in a practical setting.

  9. Calculation of Complexity Costs – An Approach for Rationalizing a Product Program

    DEFF Research Database (Denmark)

    Hansen, Christian Lindschou; Mortensen, Niels Henrik; Hvam, Lars

    2012-01-01

    inventories at the factory sites, all the way to the distribution of finished goods from distribution centers to the customers. The method proposes a step-wise approach including the analysis, quantification and allocation of product program complexity costs by the means of identifying of a number...... of a product program. These findings represent an improved decision basis for the planning of reactive and proactive initiatives of rationalizing a product program....

  10. Delayed neutron spectra and their uncertainties in fission product summation calculations

    Energy Technology Data Exchange (ETDEWEB)

    Miyazono, T.; Sagisaka, M.; Ohta, H.; Oyamatsu, K.; Tamaki, M. [Nagoya Univ. (Japan)

    1997-03-01

    Uncertainties in delayed neutron summation calculations are evaluated with ENDF/B-VI for 50 fissioning systems. As the first step, uncertainty calculations are performed for the aggregate delayed neutron activity with the same approximate method as proposed previously for the decay heat uncertainty analyses. Typical uncertainty values are about 6-14% for {sup 238}U(F) and about 13-23% for {sup 243}Am(F) at cooling times 0.1-100 (s). These values are typically 2-3 times larger than those in decay heat at the same cooling times. For aggregate delayed neutron spectra, the uncertainties would be larger than those for the delayed neutron activity because much more information about the nuclear structure is still necessary. (author)

  11. Long-lived activation products in TRIGA Mark II research reactor concrete shield: calculation and experiment

    Energy Technology Data Exchange (ETDEWEB)

    Zagar, Tomaz [Reactor Physics Department, Jozef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia)]. E-mail: tomaz.zagar@ijs.si; Bozic, Matjaz [Nuklearna elektrarna Krsko, Vrbina 12, 8270 Krsko (Slovenia); Ravnik, Matjaz [Reactor Physics Department, Jozef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia)

    2004-12-01

    In this paper, a process of long-lived activity determination in research reactor concrete shielding is presented. The described process is a combination of experiment and calculations. Samples of original heavy reactor concrete containing mineral barite were irradiated inside the reactor shielding to measure its long-lived induced radioactivity. The most active long-lived ({gamma} emitting) radioactive nuclides in the concrete were found to be {sup 133}Ba, {sup 60}Co and {sup 152}Eu. Neutron flux, activation rates and concrete activity were calculated for actual shield geometry for different irradiation and cooling times using TORT and ORIGEN codes. Experimental results of flux and activity measurements showed good agreement with the results of calculations. Volume of activated concrete waste after reactor decommissioning was estimated for particular case of Jozef Stefan Institute TRIGA reactor. It was observed that the clearance levels of some important long-lived isotopes typical for barite concrete (e.g. {sup 133}Ba, {sup 41}Ca) are not included in the IAEA and EU basic safety standards.

  12. Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions

    CERN Document Server

    Leclerc, Arnaud; Carrington, Tucker

    2016-01-01

    Vibrational spectra and wavefunctions of polyatomic molecules can be calculated at low memory cost using low-rank sum-of-product (SOP) decompositions to represent basis functions generated using an iterative eigensolver. Using a SOP tensor format does not determine the iterative eigensolver. The choice of the interative eigensolver is limited by the need to restrict the rank of the SOP basis functions at every stage of the calculation. We have adapted, implemented and compared different reduced-rank algorithms based on standard iterative methods (block-Davidson algorithm, Chebyshev iteration) to calculate vibrational energy levels and wavefunctions of the 12-dimensional acetonitrile molecule. The effect of using low-rank SOP basis functions on the different methods is analyzed and the numerical results are compared with those obtained with the reduced rank block power method introduced in J. Chem. Phys. 140, 174111 (2014). Relative merits of the different algorithms are presented, showing that the advantage o...

  13. ALPHN: A computer program for calculating ([alpha], n) neutron production in canisters of high-level waste

    Energy Technology Data Exchange (ETDEWEB)

    Salmon, R.; Hermann, O.W.

    1992-10-01

    The rate of neutron production from ([alpha], n) reactions in canisters of immobilized high-level waste containing borosilicate glass or glass-ceramic compositions is significant and must be considered when estimating neutron shielding requirements. The personal computer program ALPHA calculates the ([alpha], n) neutron production rate of a canister of vitrified high-level waste. The user supplies the chemical composition of the glass or glass-ceramic and the curies of the alpha-emitting actinides present. The output of the program gives the ([alpha], n) neutron production of each actinide in neutrons per second and the total for the canister. The ([alpha], n) neutron production rates are source terms only; that is, they are production rates within the glass and do not take into account the shielding effect of the glass. For a given glass composition, the user can calculate up to eight cases simultaneously; these cases are based on the same glass composition but contain different quantities of actinides per canister. In a typical application, these cases might represent the same canister of vitrified high-level waste at eight different decay times. Run time for a typical problem containing 20 chemical species, 24 actinides, and 8 decay times was 35 s on an IBM AT personal computer. Results of an example based on an expected canister composition at the Defense Waste Processing Facility are shown.

  14. Accelerated helium and hydrogen production in {sup 54}Fe doped alloys - measurements and calculations for the FIST experiment

    Energy Technology Data Exchange (ETDEWEB)

    Greenwood, L.R. E-mail: larry.greenwood@pnl.gov; Oliver, B.M.; Ohnuki, S.; Shiba, K.; Kohno, Y.; Kohyama, A.; Robertson, J.P.; Meadows, J.W.; Gelles, D.S

    2000-12-01

    F-82H alloys isotopically enriched in {sup 54}Fe up to 86% were irradiated in the high flux isotope reactor (HFIR) to determine the accelerated production of helium and hydrogen due to isotopic effects. Results are compared to calculations using isotopic helium production cross-sections from ENDF/B-VI or GNASH and measured neutron spectra. Helium measurements demonstrated an accelerated helium (appm)/dpa ratio of 2.3 after a 1.25-year irradiation, an increase of a factor of 4.3 over natural iron. The accelerated helium production is due to higher helium production cross-sections for {sup 54}Fe and {sup 55}Fe. Alloys doped with {sup 55}Fe could achieve helium/dpa ratios up to about 20, well above the fusion reactor ratio of 10. Hydrogen measurements were performed using a newly developed quadrupole mass spectrometer system at PNNL. Calculations predict that hydrogen production will be accelerated by about a factor of 13 over natural iron. However, measurements show that most of this hydrogen is not retained in the samples.

  15. ALPHN: A computer program for calculating ({alpha}, n) neutron production in canisters of high-level waste

    Energy Technology Data Exchange (ETDEWEB)

    Salmon, R.; Hermann, O.W.

    1992-10-01

    The rate of neutron production from ({alpha}, n) reactions in canisters of immobilized high-level waste containing borosilicate glass or glass-ceramic compositions is significant and must be considered when estimating neutron shielding requirements. The personal computer program ALPHA calculates the ({alpha}, n) neutron production rate of a canister of vitrified high-level waste. The user supplies the chemical composition of the glass or glass-ceramic and the curies of the alpha-emitting actinides present. The output of the program gives the ({alpha}, n) neutron production of each actinide in neutrons per second and the total for the canister. The ({alpha}, n) neutron production rates are source terms only; that is, they are production rates within the glass and do not take into account the shielding effect of the glass. For a given glass composition, the user can calculate up to eight cases simultaneously; these cases are based on the same glass composition but contain different quantities of actinides per canister. In a typical application, these cases might represent the same canister of vitrified high-level waste at eight different decay times. Run time for a typical problem containing 20 chemical species, 24 actinides, and 8 decay times was 35 s on an IBM AT personal computer. Results of an example based on an expected canister composition at the Defense Waste Processing Facility are shown.

  16. Calculating the pre-consumer waste footprint: A screening study of 10 selected products.

    Science.gov (United States)

    Laurenti, Rafael; Moberg, Åsa; Stenmarck, Åsa

    2017-01-01

    Knowledge about the total waste generated by the production of consumer goods can help raise awareness among policy-makers, producers and consumers of the benefits of closing loops in a future circular economy, avoiding unnecessary production and production steps and associated generation of large amounts of waste. In strict life cycle assessment practice, information on waste outputs from intermediate industrial processes of material and energy transformation is translated into and declared as potential environmental impacts, which are often not reported in the final results. In this study, a procedure to extract available intermediate data and perform a systematic pre-consumer waste footprint analysis was developed. The pre-consumer waste footprint concept was tested to analyse 10 generic products, which provided some novel and interesting results for the different product categories and identified a number of challenges that need to be resolved in development of the waste footprint concept. These challenges include standardised data declaration on waste in life cycle assessment, with a separation into waste categories illustrating the implicit environmental and scale of significance of waste types and quantities (e.g. hazardous waste, inert waste, waste for recycling/incineration) and establishment of a common definition of waste throughout sectors and nations.

  17. Calculation of nucleon production cross sections for 200 MeV deuterons

    Energy Technology Data Exchange (ETDEWEB)

    Ridikas, D.; Mittig, W.

    1997-12-31

    The differential neutron and proton production cross sections have been investigated for 200 MeV incident deuterons on thin and thick {sup 9}Be, {sup 56}Fe and {sup 238}U targets using the LAHET code system. The examples of the deuteron beam on different target materials are analysed to determine the differences of converting the energy of the beam into the nucleons produced. Both double differential, energy and angle integrated nuclear production cross sections are presented together with the average nucleon multiplicities per incident deuteron. (K.A.). 31 refs.

  18. The calculation of specific heats for some important solid components in hydrogen production process based on CuCl cycle

    Directory of Open Access Journals (Sweden)

    Avsec Jurij

    2014-01-01

    Full Text Available Hydrogen is one of the most promising energy sources of the future enabling direct production of power and heat in fuel cells, hydrogen engines or furnaces with hydrogen burners. One of the last remainder problems in hydrogen technology is how to produce a sufficient amount of cheap hydrogen. One of the best options is large scale thermochemical production of hydrogen in combination with nuclear power plant. copper-chlorine (CuCl cycle is the most promissible thermochemical cycle to produce cheap hydrogen.This paper focuses on a CuCl cycle, and the describes the models how to calculate thermodynamic properties. Unfortunately, for many components in CuCl cycle the thermochemical functions of state have never been measured. This is the reason that we have tried to calculate some very important thermophysical properties. This paper discusses the mathematical model for computing the thermodynamic properties for pure substances and their mixtures such as CuCl, HCl, Cu2OCl2 important in CuCl hydrogen production in their fluid and solid phase with an aid of statistical thermodynamics. For the solid phase, we have developed the mathematical model for the calculation of thermodynamic properties for polyatomic crystals. In this way, we have used Debye functions and Einstein function for acoustical modes and optical modes of vibrations to take into account vibration of atoms. The influence of intermolecular energy we have solved on the basis of Murnaghan equation of state and statistical thermodynamics.

  19. Calculation of Production and Decay of Radio Isotopes for Future Irradiation Experiments and Ion Bea

    CERN Document Server

    M. Eller, J. Lettry, R. Catherall, T. Stora

    The design of future radioactive ion beam (RIB) facilities requires the forecast of radio isotope inventory after irradiation. At CERN ISOLDE we developed a software tool that estimates the roduction and activation of materials for ISOLDE radioactive waste anagement. The tool can also be used in the design of new RIB facilities, for licensing procedures, for irradiation experiments and the estimation of production yields.

  20. Comment on: "Technical note: Consistent calculation of aquatic gross production from oxygen triple isotope measurements" by Kaiser (2011

    Directory of Open Access Journals (Sweden)

    D. P. Nicholson

    2011-10-01

    Full Text Available Kaiser (2011 has introduced an improved method for calculating gross productivity from the triple isotopic composition of dissolved oxygen in aquatic systems. His equation avoids approximations of previous methodologies, and also accounts for additional physical processes such as kinetic fractionation during invasion and evasion at the air-sea interface. However, when comparing his new approach to previous methods, Kaiser inconsistently defines the biological end-member with the result of overestimating the degree to which the various approaches of previous studies diverge. In particular, for his base case, Kaiser assigns a 17O excess to the product of photosynthesis (17δP that is too low, resulting in his result being ~30 % too high when compared to previous equations. When this is corrected, I find that Kaiser's equations are consistent with all previous study methodologies within about ±20 % for realistic conditions of metabolic balance (f and gross productivity (g. A methodological bias of ±20 % is of similar magnitude to current uncertainty in the wind-speed dependence of the air-sea gas transfer velocity, k, which directly impacts calculated gross productivity rates as well. While previous results could and should be revisited and corrected using the proposed improved equations, the magnitude of such corrections may be much less than implied by Kaiser.

  1. Accelerated Helium and Hydrogen Production in Fe-54 Doped Alloys - Measurements and Calculations for the FIST Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Greenwood, Lawrence R.; Oliver, Brian M.; Ohnuki, S.; Shiba, K.; Kohno, Y.; Kohyama, A.; Robertson, J. P.; Meadows, J. W.; Gelles, David S.

    2000-09-01

    Helium and hydrogen measurements for F-82H alloys enriched up to 96% in 54Fe demonstrate accelerated gas production due to differences in the isotopic cross sections. The samples were irradiated in the JP-17 and JP-22 experiments in HFIR. Results are compared to calculations using isotopic helium production cross sections from ENDF/B-VI or the computer code, GNASH, for the radioactive isotope 55Fe. Helium measurements demonstrated an accelerated helium (appm)/dpa ratio of 2.3 after a 1.25-year irradiation, an increase of a factor of 4.3 over natural iron, due to higher helium production cross sections for 54Fe and 55Fe. Alloys doped with 55Fe could achieve helium/dpa ratios up to about 20, well above the fusion reactor ratio of 10. Calculations predict that hydrogen production is accelerated by about a factor of 13 over natural iron. However, measurements show that most of this hydrogen is not retained in the samples.

  2. Quantitative Calculations for Black Hole Production at the Large Hadron Collider

    CERN Document Server

    Bock, Nicolas

    2008-01-01

    The framework of Large Extra Dimensions provides a way to explain why gravity is weaker compared to the other forces in nature. A consequence of this model is the possible production of D-dimensional Black Holes in high energy p-p collisions at the Large Hadron Collider. The present work uses the CATFISH Black Hole generator to study quantitatively how these events could be observed in the hadronic channel at mid-rapidity using a particle tracking detector.

  3. Quantitative Calculations for Black Hole Production at the Large Hadron Collider

    Science.gov (United States)

    Bock, Nicolas; Humanic, Thomas J.

    The framework of large extra dimensions provides a way to explain why gravity is weaker than the other forces in nature. A consequence of this model is the possible production of D-dimensional black holes in high energy p-p collisions at the Large Hadron Collider. The present work uses the CATFISH black hole generator to study quantitatively how these events could be observed in the hadronic channel at midrapidity using a particle-tracking detector.

  4. Environmental Impact Calculation of the Production of Biocombustible Derived from the Jatropha curcas Oil

    Directory of Open Access Journals (Sweden)

    Pedro Antonio Rodriguez Ramos

    2013-02-01

    Full Text Available This article shows the environmental impact on the life cycle of the Jatropha curcas for its use asbiodiesel using a Numeric Matrix.The sustainability analysis was made using the matrix (22.23: thatis, 22 activities of the life cycle of the production of bio-fuel from the Jatropha Curcas Oil, in Cuba, and23 factors (13 component and 4 sub-systems that influence in the sustainability. Each activity wasqualified according to the positive impact, negative or nil provoked. This study gives the possibility toknow how the implementation of this culture impacts in the Cuban ecosystem to produce bio-fuelfrom the Oil of Jatropha curcas.

  5. SPARC-90: A code for calculating fission product capture in suppression pools

    Energy Technology Data Exchange (ETDEWEB)

    Owczarski, P.C.; Burk, K.W. (Pacific Northwest Lab., Richland, WA (United States))

    1991-10-01

    This report describes the technical bases and use of two updated versions of a computer code initially developed to serve as a tool for calculating aerosol particle retention in boiling water reactor (BWR) pressure suppression pools during severe accidents, SPARC-87 and SPARC-90. The most recent version is SPARC-90. The initial or prototype version (Owczarski, Postma, and Schreck 1985) was improved to include the following: rigorous treatment of local particle deposition velocities on the surface of oblate spherical bubbles, new correlations for hydrodynamic behavior of bubble swarms, models for aerosol particle growth, both mechanistic and empirical models for vent exit region scrubbing, specific models for hydrodynamics of bubble breakup at various vent types, and models for capture of vapor iodine species. A complete user's guide is provided for SPARC-90 (along with SPARC-87). A code description, code operating instructions, partial code listing, examples of the use of SPARC-90, and summaries of experimental data comparison studies also support the use of SPARC-90. 29 refs., 4 figs., 11 tabs.

  6. PADLOC: a one-dimensional computer program for calculating coolant and plateout fission product concentrations. [HTGR

    Energy Technology Data Exchange (ETDEWEB)

    Hudritsch, W.W.; Smith, P.D.

    1977-11-01

    The one-dimensional computer program PADLOC is designed to analyze steady-state and time-dependent plateout of fission products in an arbitrary network of pipes. The problem solved is one of mass transport of impurities in a fluid, including the effects of sources in the fluid and in the plateout surfaces, convection along the flow paths, decay, adsorption on surfaces (plateout), and desorption from surfaces. These phenomena are governed by a system of coupled, nonlinear partial differential equations. The solution is achieved by (a) linearizing the equations about an approximate solution, employing a Newton Raphson iteration technique, (b) employing a finite difference solution method with an implicit time integration, and (c) employing a substructuring technique to logically organize the systems of equations for an arbitrary flow network.

  7. Carbon Calculator for Land Use Change from Biofuels Production (CCLUB). Users' manual and technical documentation.

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, S; Dunn, JB; Wang, M (Energy Systems); (Univ. of Illinois at Chicago)

    2012-06-07

    The Carbon Calculator for Land Use Change from Biofuels Production (CCLUB) calculates carbon emissions from land use change (LUC) for four different ethanol production pathways including corn grain ethanol and cellulosic ethanol from corn stover, miscanthus, and switchgrass. This document discusses the version of CCLUB released May 31, 2012 which includes corn, as did the previous CCLUB version, and three cellulosic feedstocks: corn stover, miscanthus, and switchgrass. CCLUB calculations are based upon two data sets: land change areas and above- and below-ground carbon content. Table 1 identifies where these data are stored and used within the CCLUB model, which is built in MS Excel. Land change area data is from Purdue University's Global Trade Analysis Project (GTAP) model, a computable general equilibrium (CGE) economic model. Section 2 describes the GTAP data CCLUB uses and how these data were modified to reflect shrubland transitions. Feedstock- and spatially-explicit below-ground carbon content data for the United States were generated with a surrogate model for CENTURY's soil organic carbon sub-model (Kwon and Hudson 2010) as described in Section 3. CENTURY is a soil organic matter model developed by Parton et al. (1987). The previous CCLUB version used more coarse domestic carbon emission factors. Above-ground non-soil carbon content data for forest ecosystems was sourced from the USDA/NCIAS Carbon Online Estimator (COLE) as explained in Section 4. We discuss emission factors used for calculation of international greenhouse gas (GHG) emissions in Section 5. Temporal issues associated with modeling LUC emissions are the topic of Section 6. Finally, in Section 7 we provide a step-by-step guide to using CCLUB and obtaining results.

  8. Diphoton production at hadron colliders: a fully differential QCD calculation at next-to-next-to-leading order.

    Science.gov (United States)

    Catani, Stefano; Cieri, Leandro; de Florian, Daniel; Ferrera, Giancarlo; Grazzini, Massimiliano

    2012-02-17

    We consider direct diphoton production in hadron collisions, and we compute the next-to-next-to-leading order QCD radiative corrections at the fully differential level. Our calculation uses the q(T) subtraction formalism, and it is implemented in a parton-level Monte Carlo program. The program allows the user to apply arbitrary kinematical cuts on the final-state photons and the associated jet activity and to compute the corresponding distributions in the form of bin histograms. We present selected numerical results related to Higgs boson searches at the LHC and corresponding results at the Tevatron.

  9. Radionuclide Ionization in Protoplanetary Disks: Calculations of Decay Product Radiative Transfer

    CERN Document Server

    Cleeves, L Ilsedore; Bergin, Edwin A; Visser, Ruud

    2013-01-01

    We present simple analytic solutions for the ionization rate $\\zeta_{\\rm{SLR}}$ arising from the decay of short-lived radionuclides (SLRs) within protoplanetary disks. We solve the radiative transfer problem for the decay products within the disk, and thereby allow for the loss of radiation at low disk surface densities; energy loss becomes important outside $R\\gtrsim30$ for typical disk masses $M_g=0.04$ M$_\\odot$. Previous studies of chemistry/physics in these disks have neglected the impact of ionization by SLRs, and often consider only cosmic rays (CRs), because of the high CR-rate present in the ISM. However, recent work suggests that the flux of CRs present in the circumstellar environment could be substantially reduced by relatively modest stellar winds, resulting in severely modulated CR ionization rates, $\\zeta_{\\rm{CR}}$, equal to or substantially below that of SLRs ($\\zeta_{\\rm{SLR}}\\lesssim10^{-18}$ s$^{-1}$). We compute the net ionizing particle fluxes and corresponding ionization rates as a func...

  10. EVALUATION OF EROSION PRODUCTIVITY IMPACT CALCULATOR (EPIC) MODEL FOR MIDDLE MOUNTAIN REGION OF NEPAL

    Institute of Scientific and Technical Information of China (English)

    Sohan Kumar GHIMIRE; Mukand Singh BABEL

    2004-01-01

    This study verifies the applicability of EPIC model for an erosion plot (61.2 m2) and anupland terraced watershed (72 ha) using a total of 94 rainfall events over a study period of two years.In order to analyze the effect of storm size on runoff and soil loss processes,rainfall events are divided into three groups:small (<25mm),moderate (25-50mm) and large (>50mm).Results indicate that the model could predict reasonably well the runoff and soil loss from the erosion plot and the watershed for the moderate and large rainfall events.However,the runoff and soil loss prediction for the small rainfall events is found to be poor.On annual basis,both surface runoffand soil loss predictions match well the observations.In light of the importance of the moderate and large rainfall events in producing most of the annual runoff and soil loss in the study area,the EPIC model is applied to assess the impacts of erosion on agricultural productivity and to evaluate management practices to protect watersheds in the middle mountainous area of Nepal.

  11. Issues in Target Tracking

    Science.gov (United States)

    2010-05-01

    the CUSUM (Page) test yields the quickest detection of a change of distribution for the case of i.i.d. observations [3]. In fact, in a (highly...11. Autocorrelation of the CUSUM increments, sn, under H1 (target present). Issues in Target Tracking RTO-EN-SET-157(2010...restrictive condition that the increments of the cumulative sum, sn, be i.i.d. [3], [22]. Fig. 11 plots the autocorrelation of the CUSUM increments as a

  12. RADIONUCLIDE IONIZATION IN PROTOPLANETARY DISKS: CALCULATIONS OF DECAY PRODUCT RADIATIVE TRANSFER

    Energy Technology Data Exchange (ETDEWEB)

    Cleeves, L. Ilsedore; Adams, Fred C.; Bergin, Edwin A.; Visser, Ruud [Department of Astronomy, University of Michigan, 500 Church Street, Ann Arbor, MI 48109 (United States)

    2013-11-01

    We present simple analytic solutions for the ionization rate ζ{sub SLR} arising from the decay of short-lived radionuclides (SLRs) within protoplanetary disks. We solve the radiative transfer problem for the decay products within the disk, and thereby allow for the loss of radiation at low disk surface densities; energy loss becomes important outside R ∼> 30 AU for typical disk masses M{sub g} = 0.04 M{sub ☉}. Previous studies of chemistry/physics in these disks have neglected the impact of ionization by SLRs, and often consider only cosmic rays (CRs), because of the high CR-rate present in the interstellar medium. However, recent work suggests that the flux of CRs present in the circumstellar environment could be substantially reduced by relatively modest stellar winds, resulting in severely modulated CR ionization rates, ζ{sub CR}, equal to or substantially below that of SLRs (ζ{sub SLR} ∼< 10{sup –18} s{sup –1}). We compute the net ionizing particle fluxes and corresponding ionization rates as a function of position within the disk for a variety of disk models. The resulting expressions are especially simple for the case of vertically Gaussian disks (frequently assumed in the literature). Finally, we provide a power-law fit to the ionization rate in the midplane as a function of gas disk surface density and time. Depending on location in the disk, the ionization rates by SLRs are typically in the range ζ{sub SLR} ∼ (1-10) × 10{sup –19} s{sup –1}.

  13. Calculating vibrational spectra with sum of product basis functions without storing full-dimensional vectors or matrices

    CERN Document Server

    Leclerc, Arnaud

    2014-01-01

    We propose an iterative method for computing vibrational spectra that significantly reduces the memory cost of calculations. It uses a direct product primitive basis, but does not require storing vectors with as many components as there are product basis functions. Wavefunctions are represented in a basis each of whose functions is a sum of products (SOP) and the factorizable structure of the Hamiltonian is exploited. If the factors of the SOP basis functions are properly chosen, wavefunctions are linear combinations of a small number of SOP basis functions. The SOP basis functions are generated using a shifted block power method. The factors are refined with a rank reduction algorithm to cap the number of terms in a SOP basis function. The ideas are tested on a 20-D model Hamiltonian and a realistic CH$_3$CN (12 dimensional) potential. For the 20-D problem, to use a standard direct product iterative approach one would need to store vectors with about $10^{20}$ components and would hence require about $8 \\tim...

  14. Calculation of L shell production cross sections for the elements with 40{<=}Z{<=}92 at 1-1500 keV

    Energy Technology Data Exchange (ETDEWEB)

    Erdogan, Hasan E-mail: herdogan@pamukkale.edu.tr; Sade, Keziban; Ertugrul, Mehmet

    2004-03-01

    In this study, L shell X-ray production cross sections for the elements atomic number between 40{<=}Z{<=} 92 were calculated for the energy 1-1500 keV. Calculated values were tabulated. Using these tables, we drew the graphics of production cross sections against the atomic numbers and energies. As a result, production cross sections increases with atomic number increase and decrease with energy increases.

  15. Reply to Nicholson's comment on "Consistent calculation of aquatic gross production from oxygen triple isotope measurements" by Kaiser (2011

    Directory of Open Access Journals (Sweden)

    J. Kaiser

    2011-10-01

    Full Text Available The comment by Nicholson (2011a questions the "consistency" of the "definition" of the "biological end-member" used by Kaiser (2011a in the calculation of oxygen gross production. "Biological end-member" refers to the relative oxygen isotope ratio difference between photosynthetic oxygen and Air-O2 (abbreviated 17δP and 18δP for 17O/16O and 18O/16O, respectively.

    This comment has no merit for the following reasons: (a the isotopic composition of photosynthetic oxygen cannot be "defined", it can only be measured, modelled or calculated based on other data; (b the isotopic composition of photosynthetic oxygen was not "defined" in Kaiser (2011a, but derived from published measurements; (c the published measurements themselves were inconsistent and no single result could be identified as best; (d since no best value could be identified, a hypothetical base case was constructed in a way that was consistent with previous publications; (e the values of 17δP=−11.646‰ and 18δP=−22.835‰ assumed for the base case are compatible with the experimental evidence published before the paper of Kaiser (2011a; (f even if the "biological end-member" was based on a definition, there could be no argument about the "consistency" of this definition – as per its nature, a definition is arbitrary.

    The qualification of base case gross production values as being "30 % too high" must therefore also be rejected. Even though recently revised measurements of the relative 17O/16O isotope ratio difference between VSMOW and Air-O2, 17δVSMOW (Barkan and Luz, 2011, do support lower estimates of gross production, our own measurements disagree with these revised 17δVSMOW values. If scaled for differences in 18

  16. Area balance method for calculation of air interchange in fire-resesistance testing laboratory for building products and constructions

    Directory of Open Access Journals (Sweden)

    Sargsyan Samvel Volodyaevich

    2014-09-01

    Full Text Available Fire-resistance testing laboratory for building products and constructions is a production room with a substantial excess heat (over 23 W/m . Significant sources of heat inside the aforementioned laboratory are firing furnace, designed to simulate high temperature effects on structures and products of various types in case of fire development. The excess heat production in the laboratory during the tests is due to firing furnaces. The laboratory room is considered as an object consisting of two control volumes (CV, in each of which there may be air intake and air removal, pollutant absorption or emission. In modeling air exchange conditions the following processes are being considered: the processes connected with air movement in the laboratory room: the jet stream in a confined space, distribution of air parameters, air motion and impurity diffusion in the ventilated room. General upward ventilation seems to be the most rational due to impossibility of using local exhaust ventilation. It is connected with the peculiarities of technological processes in the laboratory. Air jets spouted through large-perforated surface mounted at the height of 2 m from the floor level, "flood" the lower control volume, entrained by natural convective currents from heat sources upward and removed from the upper area. In order to take advantage of the proposed method of the required air exchange calculation, you must enter additional conditions, taking into account the provision of sanitary-hygienic characteristics of the current at the entrance of the service (work area. Exhaust air containing pollutants (combustion products, is expelled into the atmosphere by vertical jet discharge. Dividing ventilated rooms into two control volumes allows describing the research process in a ventilated room more accurately and finding the air exchange in the lab room during the tests on a more reasonable basis, allowing to provide safe working conditions for the staff without

  17. Structure investigation of sertraline drug and its iodine product using mass spectrometry, thermal analyses and MO-calculations

    Science.gov (United States)

    Zayed, M. A.; Hawash, M. F.; Fahmey, M. A.; El-Habeeb, Abeer A.

    2007-11-01

    Sertraline (C 17H 17Cl 2N) as an antidepressant drug was investigated using thermal analysis (TA) measurements (TG/DTG and DTA) in comparison with electron impact (EI) mass spectral (MS) fragmentation at 70 eV. Semi-empirical MO-calculations, using PM3 procedure, has been carried out on neutral molecule and positively charged species. These calculations included bond length, bond order, bond strain, partial charge distribution and heats of formation (Δ Hf). Also, in the present work sertraline-iodine product was prepared and its structure was investigated using elemental analyses, IR, 1H NMR, 13C NMR, MS and TA. It was also subjected to molecular orbital calculations (MOC) in order to confirm its fragmentation behavior by both MS and TA in comparison with the sertraline parent drug. In MS of sertraline the initial rupture occurred was CH 3NH 2+ fragment ion via H-rearrangement while in sertraline-iodine product the initial rupture was due to the loss of I + and/or HI + fragment ions followed by CH 2dbnd NH + fragment ion loss. In thermal analyses (TA) the initial rupture in sertraline is due to the loss of C 6H 3Cl 2 followed by the loss of CH 3-NH forming tetraline molecule which thermally decomposed to give C 4H 8, C 6H 6 or the loss of H 2 forming naphthalene molecule which thermally sublimated. In sertraline-iodine product as a daughter the initial thermal rupture is due to successive loss of HI and CH 3NH followed by the loss of C 6H 5HI and HCl. Sertraline biological activity increases with the introduction of iodine into its skeleton. The activities of the drug and its daughter are mainly depend upon their fragmentation to give their metabolites in vivo systems, which are very similar to the identified fragments in both MS and TA. The importance of the present work is also due to the decision of the possible mechanism of fragmentation of the drug and its daughter and its confirmation by MOC.

  18. Survival probability for diffractive dijet production in p-pbar collisions from next-to-leading order calculations

    CERN Document Server

    Klasen, M

    2009-01-01

    We perform next-to-leading order calculations of the single-diffractive and non-diffractive cross sections for dijet production in proton-antiproton collisions at the Tevatron. By comparing their ratio to the data published by the CDF collaboration for two different center-of-mass energies, we deduce the rapidity-gap survival probability as a function of the momentum fraction of the parton in the antiproton. Assuming Regge factorization, this probability can be interpreted as a suppression factor for the diffractive structure function measured in deep-inelastic scattering at HERA. In contrast to the observations for photoproduction, the suppression factor in proton-antiproton collisions depends on the momentum fraction of the parton in the Pomeron even at next-to-leading order.

  19. Survival probability for diffractive dijet production in pp¯ collisions from next-to-leading order calculations

    Science.gov (United States)

    Klasen, Michael; Kramer, Gustav

    2009-10-01

    We perform next-to-leading order calculations of the single-diffractive and nondiffractive cross sections for dijet production in proton-antiproton collisions at the Tevatron. By comparing their ratio to the data published by the CDF collaboration for two different center-of-mass energies, we deduce the rapidity-gap survival probability as a function of the momentum fraction of the parton in the antiproton. Assuming Regge factorization, this probability can be interpreted as a suppression factor for the diffractive structure function measured in deep-inelastic scattering at HERA. In contrast to the observations for photoproduction, the suppression factor in proton-antiproton collisions depends on the momentum fraction of the parton in the Pomeron even at next-to-leading order.

  20. Survival probability for diffractive dijet production in p anti p collisions from next-to-leading order calculations

    Energy Technology Data Exchange (ETDEWEB)

    Klasen, M. [Univ. Joseph Fourier, Laboratoire de Physique Subatomique et de Cosmologie, Grenoble (France); Kramer, G. [Univ. Hamburg, II. Inst. fuer Theoretische Physik (Germany)

    2009-08-15

    We perform next-to-leading order calculations of the single-diffractive and non-diffractive cross sections for dijet production in proton-antiproton collisions at the Tevatron. By comparing their ratio to the data published by the CDF collaboration for two different center-of-mass energies, we deduce the rapidity-gap survival probability as a function of the momentum fraction of the parton in the antiproton. Assuming Regge factorization, this probability can be interpreted as a suppression factor for the diffractive structure function measured in deep-inelastic scattering at HERA. In contrast to the observations for photoproduction, the suppression factor in protonantiproton collisions depends on the momentum fraction of the parton in the Pomeron even at next-to-leading order. (orig.)

  1. Reply to Nicholson's comment on "Consistent calculation of aquatic gross production from oxygen triple isotope measurements" by Kaiser (2011

    Directory of Open Access Journals (Sweden)

    J. Kaiser

    2012-08-01

    Full Text Available The comment by Nicholson (2011a questions the "consistency" of the "definition" of the "biological end-member" used by Kaiser (2011a in the calculation of oxygen gross production. "Biological end-member" refers to the relative oxygen isotope ratio difference between photosynthetic oxygen and Air-O2 (abbreviated 17δP and 18δP for 17O/16O and 18O/16O, respectively. The comment claims that this leads to an overestimate of the discrepancy between previous studies and that the resulting gross production rates are "30% too high". Nicholson recognises the improved accuracy of Kaiser's direct calculation ("dual-delta" method compared to previous approximate approaches based on 17O excess (17Δ and its simplicity compared to previous iterative calculation methods. Although he correctly points out that differences in the normalised gross production rate (g are largely due to different input parameters used in Kaiser's "base case" and previous studies, he does not acknowledge Kaiser's observation that iterative and dual-delta calculation methods give exactly the same g for the same input parameters (disregarding kinetic isotope fractionation during air-sea exchange. The comment is based on misunderstandings with respect to the "base case" 17δP and 18δP values. Since direct measurements of 17δP and 18δPdo not exist or have been lost, Kaiser constructed the "base case" in a way that was consistent and compatible with literature data. Nicholson showed that an alternative reconstruction of 17δP gives g values closer to previous studies. However, unlike Nicholson, we refrain from interpreting either reconstruction as a benchmark for the accuracy of g. A number of publications over the last 12 months

  2. Production of lightning NOx and its vertical distribution calculated from three-dimensional cloud-scale chemical transport model simulations

    KAUST Repository

    Ott, Lesley E.

    2010-02-18

    A three-dimensional (3-D) cloud-scale chemical transport model that includes a parameterized source of lightning NOx on the basis of observed flash rates has been used to simulate six midlatitude and subtropical thunderstorms observed during four field projects. Production per intracloud (PIC) and cloud-to-ground (PCG) flash is estimated by assuming various values of PIC and PCG for each storm and determining which production scenario yields NOx mixing ratios that compare most favorably with in-cloud aircraft observations. We obtain a mean PCG value of 500 moles NO (7 kg N) per flash. The results of this analysis also suggest that on average, PIC may be nearly equal to PCG, which is contrary to the common assumption that intracloud flashes are significantly less productive of NO than are cloud-to-ground flashes. This study also presents vertical profiles of the mass of lightning NOx after convection based on 3-D cloud-scale model simulations. The results suggest that following convection, a large percentage of lightning NOx remains in the middle and upper troposphere where it originated, while only a small percentage is found near the surface. The results of this work differ from profiles calculated from 2-D cloud-scale model simulations with a simpler lightning parameterization that were peaked near the surface and in the upper troposphere (referred to as a “C-shaped” profile). The new model results (a backward C-shaped profile) suggest that chemical transport models that assume a C-shaped vertical profile of lightning NOx mass may place too much mass near the surface and too little in the middle troposphere.

  3. Calculation of excitation functions of proton, alpha and deuteron induced reactions for production of medical radioisotopes {sup 122–125}I

    Energy Technology Data Exchange (ETDEWEB)

    Artun, Ozan, E-mail: ozanartun@yahoo.com; Aytekin, Hüseyin, E-mail: huseyinaytekin@gmail.com

    2015-02-15

    In this work, the excitation functions for production of medical radioisotopes {sup 122–125}I with proton, alpha, and deuteron induced reactions were calculated by two different level density models. For the nuclear model calculations, the Talys 1.6 code were used, which is the latest version of Talys code series. Calculations of excitation functions for production of the {sup 122–125}I isotopes were carried out by using the generalized superfluid model (GSM) and Fermi-gas model (FGM). The results have shown that generalized superfluid model is more successful than Fermi-gas model in explaining the experimental results.

  4. Topological calculation of key parameters of fibre for production of foam concrete based on cement-free nanostructured binder

    Directory of Open Access Journals (Sweden)

    KHARKHARDIN Anatoly Nikolaevich

    2016-08-01

    Full Text Available Fiber reinforcement is the process of introduction of fibers of different origins into binding system to enhance strength, stress-strain behavior of products and structures. Maximal effect of reinforcing process is possible when optimal parameters (length and consumption of fibre are determined. Moreover one need to consider particle-size composition and hardening process of binding system. In this paper the critical length of natural and sinthesized fibres as well as minimally required content in cellular systems is calculated with the mathematical apparatus of structural topology. As an example the foam concrete based on cement-free nanostructured binder with basalt fibre and microreinforcing constructional polymeric fibre is studied. Fiber diameter, refined with microstructure analysis, accomplished by SEM-microscopy and experimentally determined packing density in loose and compact state are applied as input parameters. Measurement of the fibre topological characteristics with acceptable is accomplished according to material porosity and pore size. So the minimal effective fibre length taking into account homogeneous distribution in bulk of composite matrix is less of 1 mm; minimal fibre consumption is 0,2–0,5 (by wt. %. Irrational optimization leads to unreasonable cost growth of final materials as well as formation of balling inclusions that negatively affects on final performance of composite.

  5. Cutting of Phragmites australis as a lake restoration technique:Productivity calculation and nutrient removal in Wuliangsuhai Lake, northern China

    Institute of Scientific and Technical Information of China (English)

    Jan Felix Kbbing; Niels Thevs; Stefan Zerbe

    2016-01-01

    Reed is one of the most frequent and dominant species in wetlands all over the world, with common reed (Phragmites australis (Cav.) Trin. ex Steud.) as the most widely distributed species. In many wetlands, P. australis plays a highly ambivalent role. On the one hand, in many wetlands it purifies wastewater, provides habitat for numerous species, and is a potentially valuable raw material, while on the other hand it is an invasive species which expands aggressively, prevents fishing, blocks ditches and waterways, and builds monospecies stands. This paper uses the eutrophic reed-swamp of Wuliangsuhai Lake in Inner Mongolia, northern China, as a case to present the multiple benefits of regular reed cutting. The reed area and aboveground biomass production are calculated based on field data. Combined with data about water and reed nutrient content, the impact of reed cutting on the lake nutrient budget (N and P) is investigated. Currently, at this lake around 100,000 tons of reed are harvested in winter annually, removing 16%and 8%of the total nitrogen and phosphorus influx, respectively. Harvesting all available winter reed could increase the nutrient removal rates to 48%and 24%, respectively. We also consider the effects of summer harvesting, in which reed biomass removal could overcompensate for the nutrient influx but could potentially reduce reed regrowth.

  6. 37 CFR 1.775 - Calculation of patent term extension for a human drug, antibiotic drug or human biological product.

    Science.gov (United States)

    2010-07-01

    ... extension for a human drug, antibiotic drug or human biological product. 1.775 Section 1.775 Patents... drug or human biological product is eligible for extension, the term shall be extended by the time as... term of the patent for a human drug, antibiotic drug or human biological product will be extended...

  7. 78 FR 32581 - Tobacco Products, User Fees, Requirements for the Submission of Data Needed To Calculate User...

    Science.gov (United States)

    2013-05-31

    ... any product made or derived from tobacco that is intended for human consumption, including any... HUMAN SERVICES Food and Drug Administration 21 CFR Part 1150 RIN 0910-AG81 Tobacco Products, User Fees... of Tobacco Products AGENCY: Food and Drug Administration, HHS. ACTION: Proposed rule. SUMMARY:...

  8. Methane production as a result from rumen fermentation in cattle calculated by using the IPCC-GPG tier 2 method

    OpenAIRE

    2005-01-01

    Following the IPCC GPG Guidelines the enteric fermentation emission is calculated as a percentage of the gross energy intake in cattle feedstuffs. The energy consumption for maintenance, activity, growth, lactation and pregnancy is described in detail. Combining this with the average rations for cattle the methane emissions are calculated. The report presents for the period 1990-2002 for all cattle categories the methane emission resulting from enteric fermentation.

  9. Basis for calculating technological parameters of preparation of minced salted fish products of intermediate moisture with specified physical and chemical characteristics

    Directory of Open Access Journals (Sweden)

    Stepanenko E. I.

    2016-09-01

    Full Text Available The dependence of water activity on basic physical and chemical characteristics of salted fish products with intermediate moisture has been defined. During the research the product quality has been assessed by the organoleptic method; determination of the water mass fraction has been carried out by the drying method; the salt mass fraction – by the argentometric method; water activity has been measured by a cooled mirror dew-point sensor. Based on experimental data the dependence of Aw on concentration of sodium chloride in the salt semi-finished products of pollock (Theragra chalcogramma, Atlantic herring (Clupea harengus, Baltic cod (Gadus morhua callarias, blue whiting (Micromesistius, pink salmon (Oncorhynchus gorbuscha, horse mackerel (Trachurus trachurus has been established. The empirical formula showing the correlation of the parameter (Aw with mass fraction of sodium chloride and water has been derived; on its basis it is possible to calculate the parameters of semi-finished product in order to obtain a final minced salt product of intermediate moisture with desired microbial stability upon storage. The relations between the salt mass fraction and water mass fraction excluding bacterial spoilage and mold growth has been determined, they make up S ≥ 0,135 ∙ W and S ≥ 0,34 ∙ W respectively, where S – the mass fraction of salt, %, W – the mass fraction of water, %. An example of calculating the required dosage of sodium chloride in the semi-finished minced salmon has been described to produce the finished product with the exactly given values of humidity and water activity. During the process of minced salted fish products' dehydration the basic physical and chemical parameters – the mass fraction of salt and water affecting the water activity (Aw – have been changing. Determination of these parameters' relationship provides the ability to predict the qualitative changes of salted fish products of intermediate moisture

  10. Quantum mechanical calculation of energy dependence of OCl/OH product branching ratio and product quantum state distributions for the O(1D) + HCl reaction on all three contributing electronic state potential energy surfaces.

    Science.gov (United States)

    Yang, Huan; Han, Ke-Li; Nanbu, Shinkoh; Nakamura, Hiroki; Balint-Kurti, Gabriel G; Zhang, Hong; Smith, Sean C; Hankel, Marlies

    2008-08-28

    OCl/OH product branching ratios are calculated as a function of total energy for the O( (1) D) + HCl reaction using quantum wavepacket methods. The calculations take account of reaction on all the three electronic state potential energy surfaces which correlate with both reactants and products. Our results show that reaction on the excited electronic state surfaces has a large effect on the branching ratio at higher energies and that these surfaces must therefore be fully taken into account. The calculations use the potential energy surfaces of Nanbu and co-workers. Product vibrational and rotational quantum state distributions are also calculated as a function of energy for both product channels. Inclusion of the excited electronic state potential energy surfaces improves the agreement of the predicted product vibrational quantum state distributions with experiment for the OH product channel. For OCl agreement between theory and experiment is retained for the vibrational quantum state distributions when the excited electronic state potential energy surfaces are included in the analysis. For the rotational state distributions good agreement between theory and experiment is maintained for energies at which experimental results are available. At higher energies, above 0.7 eV of total energy, the OCl rotational state distributions predicted using all three electronic state potential energy surfaces shift to markedly smaller rotational quantum numbers.

  11. Methane production as a result from rumen fermentation in cattle calculated by using the IPCC-GPG tier 2 method

    NARCIS (Netherlands)

    Smink W; Pellikaan WF; Kolk LJ van der; Hoek KW van der; LVM

    2005-01-01

    Following the IPCC GPG Guidelines the enteric fermentation emission is calculated as a percentage of the gross energy intake in cattle feedstuffs. The energy consumption for maintenance, activity, growth, lactation and pregnancy is described in detail. Combining this with the average rations for cat

  12. LEAF: a computer program to calculate fission product release from a reactor containment building for arbitrary radioactive decay chains

    Energy Technology Data Exchange (ETDEWEB)

    Lee, C.E.; Apperson, C.E. Jr.; Foley, J.E.

    1976-10-01

    The report describes an analytic containment building model that is used for calculating the leakage into the environment of each isotope of an arbitrary radioactive decay chain. The model accounts for the source, the buildup, the decay, the cleanup, and the leakage of isotopes that are gas-borne inside the containment building.

  13. CALCULATION AND USE OF THE PEDOCLIMATIC INDEX (PCI IN THE ESTIMATION AND MODELLING OF WHEAT PRODUCTION DEPENDING ON THE TECHNOLOGICAL PROCESSES INTENSITY (TPI IN ROMANIA

    Directory of Open Access Journals (Sweden)

    Mihai BERCA

    2013-01-01

    Full Text Available The Pedoclimatic Index (PCI calculated by us is the product between the Aridity Index (AR and the soil fertility status expressed through number of creditworthiness points (CWS – Creditworthiness of Soil: PCI = AR x CWS .Was used AR calculated after UNEP (United Nations Environment Programme instead of the older De Martonne index. Determinations were performed in 6 different pedoclimatic areas, in which PCI has varied from 12 to 47. Taking into account that AR varies between 0,20 and 1,00 in Romania, while CWS is between 0 and 100, theoretically PCI can range in the interval 0-100 and practically from 10 to 50. For each PCI was calculated the wheat production according to the Technological Processes Intensity (TPI, Creditworthiness (CWS, them also with marks from 1 to 10, and the wheat production pattern was made based on the two parameters. It appears that at a very reduced and reduced index of the technological processes (TPI between 1-4 the wheat yields level is very slightly influenced by the pedoclimatic quality of the culture area. In the areals of culture with PCI below 15 the production can’t reach 30 q/ha, irrespective of the quality of technological processes. At PCI of over 40 the production achieves 60 q/ha if there are applied superior technologies and if the working capital is optimum used. At PCI between 30 and 40 the maximum yield that can be reached in conditions of highest technical and qualitative value of production slightly exceeds 50 q/ha. All these models and nomograms are useful to agricultural management in order to estimate the production, but also for her optimization

  14. HETC-3STEP calculations of proton induced nuclide production cross sections at incident energies between 20 MeV and 5 GeV

    Energy Technology Data Exchange (ETDEWEB)

    Takada, Hiroshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Yoshizawa, Nobuaki; Ishibashi, Kenji

    1996-08-01

    For the OECD/NEA code intercomparison, nuclide production cross sections of {sup 16}O, {sup 27}Al, {sup nat}Fe, {sup 59}Co, {sup nat}Zr and {sup 197}Au for the proton incidence with energies of 20 MeV to 5 GeV are calculated with the HETC-3STEP code based on the intranuclear cascade evaporation model including the preequilibrium and high energy fission processes. In the code, the level density parameter derived by Ignatyuk, the atomic mass table of Audi and Wapstra and the mass formula derived by Tachibana et al. are newly employed in the evaporation calculation part. The calculated results are compared with the experimental ones. It is confirmed that HETC-3STEP reproduces the production of the nuclides having the mass number close to that of the target nucleus with an accuracy of a factor of two to three at incident proton energies above 100 MeV for {sup nat}Zr and {sup 197}Au. However, the HETC-3STEP code has poor accuracy on the nuclide production at low incident energies and the light nuclide production through the fragmentation process induced by protons with energies above hundreds of MeV. Therefore, further improvement is required. (author)

  15. Relativistic calculations of K-, L- and M-shell X-ray production cross-sections by electron impact for Ne, Ar, Kr, Xe, Rn and Uuo

    Science.gov (United States)

    Sampaio, J. M.; Madeira, T. I.; Guerra, M.; Parente, F.; Indelicato, P.; Santos, J. P.; Marques, J. P.

    2016-10-01

    In this work, we derive X-ray production cross-sections from electron-impact ionization cross-sections for Ne, Ar, Kr, Xe, Rn, and Uuo, calculated in the modified relativistic binary-encounter-Bethe model, and using as the only input parameter the binding energies obtained in the Dirac-Fock approach. Radiative and radiationless transition probabilities necessary to compute the inter- and intra-shell atomic yields were calculated in the same approach. Shell electron-impact ionization cross-sections and X-ray production cross-sections are compared with the corresponding cross-sections retrieved from the National Institute of Standards and Technology Reference Database and available experimental data.

  16. Influence of the delta ray production threshold on water-to-air stopping power ratio calculations for carbon ion beam radiotherapy.

    Science.gov (United States)

    Sánchez-Parcerisa, D; Gemmel, A; Jäkel, O; Rietzel, E; Parodi, K

    2013-01-07

    Previous calculations of the water-to-air stopping power ratio (s(w,)(air)) for carbon ion beams did not involve tracking of delta ray electrons, even though previous calculations with protons predict an effect up to 1%. We investigate the effect of the delta ray production threshold in s(w,)(air) calculations and propose an empirical expression which takes into account the effect of the delta ray threshold as well as the uncertainty in the mean ionization potentials (I-values) of air and water. The formula is derived from the results of Monte Carlo calculations using the most up-to-date experimental data for I-values and a delta ray production threshold of 10 keV. It allows us to reduce the standard uncertainty in s(w,)(air) below 0.8%, instead of the current 2% given in international protocols, which results in a reduction of the overall uncertainty for absolute dosimetry based on air-filled ionization chambers.

  17. An intelligent system for calculating the scale of rational, enlarged production of an underground non-ferrous metal mine

    Institute of Scientific and Technical Information of China (English)

    ZHENG Ming-gui; CAI Si-jing

    2008-01-01

    The enlarged production scale of underground non-ferrous metal mines is affected by many uncertain factors difficult to describe mathematically with any level of accuracy. The problem can be solved by a synthesis of artificial intelligence. Based on the analysis of the major factors affecting the scale of enlarged production, we first interpreted in detail the design principles and structure of the intelligent system. Secondly, we introduced an ANN subsystem. In order to ensure technological and scale efficiencies of the training samples for ANN, we filtrated the samples with a DEA method. Finally, we trained the intelligent system, which was proved to be very efficient.

  18. Integrated system for production of neutronics and photonics calculational constants. Volume 5, revision 1. CLYDE, a code for the production of calculational constants from nuclear data. [For CDC-7600 computer

    Energy Technology Data Exchange (ETDEWEB)

    Doyas, R.J.; Dye, R.E.; Howerton, R.J.; Perkins, S.T.

    1975-09-30

    In the past several years, the Lawrence Livermore Laboratory CLYDE code has been revised and modified extensively. Processing of photon production was incorporated, and the processing of higher-order S/sub n/ transfer matrices was speeded up. A Doppler broadening option was also added. On the other hand, the CLYDE routines that process evaporation models and cumulative probability distributions (I = 5,6) were deleted. The processing of Monte Carlo output was spun off into a separate code, CTART. 3 figures, 11 tables. (auth)

  19. Methodology to calculate starch in castor seed cake residue from biodiesel production; Metodologia de quantificacao de amido em torta de mamona residual da producao de biodiesel

    Energy Technology Data Exchange (ETDEWEB)

    Castro, Aline Machado de [Centro de Pesquisas da Petrobras (CENPES). Gerencia de Energias Renovaveis, RJ (Brazil)], e-mail: alinebio@petrobras.com.br; Pereira Junior, Nei [Universidade Federal do Rio de Janeiro (UFRJ). Departamento de Engenharia Bioquimica. Escola de Quimica, RJ (Brazil)], e-mail: nei@eq.ufrj.br

    2009-04-15

    When castor seeds are used in the production of biodiesel a solid residue is obtained from the seed crushing process (castor seed cake). This residue, due to its high starch content, is a potential biomass for second generation bioethanol production. The starch in this biomass presents some peculiarities that are associated with the proteins and other structures of the seed. The challenge of this study was to standardize a method to quantify the starch, tailored for this biomass. This methodology was confirmed with a comparative study using commercial methods and a standard starch sample. This study is an important aspect in bioethanol production from castor seed cake. This is because to evaluate the potential of cakes from different sources it is necessary to determine the starch content in the biomass to calculate the mass balance as well as the process yield.

  20. Observations and model calculations of B747 engine exhaust products at cruise altitude and inferred initial OH emissions

    Energy Technology Data Exchange (ETDEWEB)

    Tremmel, H.G.; Schlager, H.; Konopka, P.; Schulte, P. [Deutsche Forschungsanstalt fuer Luft- und Raumfahrt e.V. (DLR), Wessling (Germany). Inst. fuer Physik der Atmosphaere; Arnold, F.; Klemm, M.; Droste-Franke, B. [Max-Planck-Institut fuer Kernphysik, Heidelberg (Germany)

    1997-06-01

    NO{sub y} (NO, HNO{sub 2} and HNO{sub 3}) exhaust emissions in the near-field plume of two B747 jet airliners cruising in the upper troposphere were measured in situ using the DLR Falcon research aircraft. In addition CO{sub 2} was measured providing exhaust plume dilution rates for the species. The observations were used to estimate the initial OH concentration and NO{sub 2}/NO{sub x} ratio at the engine exit and the combustor exit by back calculations using a chemistry box model. From the two different plume events, and using two different model simulation modes in each case, we inferred OH emission indices EI(OH) = 0.32-0.39 g/kg fuel (OH{sub 0} = 9-14.4 ppmv) and (NO{sub 2}/NO{sub x}){sub 0} = 0.12-0.17. Furthermore, our results indicate that the chemistry of the exhaust species during the short period between the combustion chamber exit and the engine exit must be considered, because OH is already consumed to a great extent in this engine section, due to conversion to HNO{sub 2} and HNO{sub 3}. For the engines discussed here, the modeled OH concentration between combustor exit und engine exit decreases by a factor of about 350, leading to OH concentrations of 1-2.10{sup 12} molec/cm{sup 3} at the engine exit. (orig.) 45 refs.

  1. Thermodynamic equilibrium calculations of hydrogen production from the combined processes of dimethyl ether steam reforming and partial oxidation

    Science.gov (United States)

    Semelsberger, Troy A.; Borup, Rodney L.

    Thermodynamic analyses of producing a hydrogen-rich fuel-cell feed from the combined processes of dimethyl ether (DME) partial oxidation and steam reforming were investigated as a function of oxygen-to-carbon ratio (0.00-2.80), steam-to-carbon ratio (0.00-4.00), temperature (100 °C-600 °C), pressure (1-5 atm) and product species. Thermodynamically, dimethyl ether processed with air and steam generates hydrogen-rich fuel-cell feeds; however, the hydrogen concentration is less than that for pure DME steam reforming. Results of the thermodynamic processing of dimethyl ether indicate the complete conversion of dimethyl ether to hydrogen, carbon monoxide and carbon dioxide for temperatures greater than 200 °C, oxygen-to-carbon ratios greater than 0.00 and steam-to-carbon ratios greater than 1.25 at atmospheric pressure (P = 1 atm). Increasing the operating pressure has negligible effects on the hydrogen content. Thermodynamically, dimethyl ether can produce concentrations of hydrogen and carbon monoxide of 52% and 2.2%, respectively, at a temperature of 300 °C, and oxygen-to-carbon ratio of 0.40, a pressure of 1 atm and a steam-to-carbon ratio of 1.50. The order of thermodynamically stable products (excluding H 2, CO, CO 2, DME, NH 3 and H 2O) in decreasing mole fraction is methane, ethane, isopropyl alcohol, acetone, n-propanol, ethylene, ethanol and methyl-ethyl ether; trace amounts of formaldehyde, formic acid and methanol are observed. Ammonia and hydrogen cyanide are also thermodynamically favored products. Ammonia is favored at low temperatures in the range of oxygen-to-carbon ratios of 0.40-2.50 regardless of the steam-to-carbon ratio employed. The maximum ammonia content (i.e., 40%) occurs at an oxygen-to-carbon ratio of 0.40, a steam-to-carbon ratio of 1.00 and a temperature of 100 °C. Hydrogen cyanide is favored at high temperatures and low oxygen-to-carbon ratios with a maximum of 3.18% occurring at an oxygen-to-carbon ratio of 0.40 and a steam

  2. A method of calculating of the thermodynamic properties and the composition of the explosion products of hydrocarbons and air under partial chemical equilibrium

    Science.gov (United States)

    Shargatov, V. A.

    2016-11-01

    We examined the approximate method to calculate composition and thermodynamic parameters of hydrocarbons-air nonequilibrium explosion products based on the assumption of the existence of a partial chemical equilibrium. With excellent accuracy of calculating thermodynamic properties and species mass fraction the respective stiff system of detailed kinetics differential equations can be replaced by the one differential equation or the two differential equations and a system of algebraic equations. This method is always consistent with the detailed kinetic mechanism. The constituent equations of the method were derived and the respective computer code written. We examine the applicability of the method by solving the test problem. The proposed method simulation results are in excellent agreement with the detailed kinetics model results corresponding the stiff ordinary differential equation solver including NO time histories.

  3. Bias estimates used in lieu of validation of fission products and minor actinides in MCNP Keff calculations for PWR burnup credit casks

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, Don [ORNL; Marshall, William BJ J [ORNL; Wagner, John C [ORNL; Bowen, Douglas G [ORNL

    2015-09-01

    The U.S. Nuclear Regulatory Commission (NRC) Division of Spent Fuel Storage and Transportation recently issued Interim Staff Guidance (ISG) 8, Revision 3. This ISG provides guidance for burnup credit (BUC) analyses supporting transport and storage of PWR pressurized water reactor (PWR) fuel in casks. Revision 3 includes guidance for addressing validation of criticality (keff) calculations crediting the presence of a limited set of fission products and minor actinides (FP&MA). Based on previous work documented in NUREG/CR-7109, recommendation 4 of ISG-8, Rev. 3, includes a recommendation to use 1.5 or 3% of the FP&MA worth to conservatively cover the bias due to the specified FP&MAs. This bias is supplementary to the bias and bias uncertainty resulting from validation of keff calculations for the major actinides in SNF and does not address extension to actinides and fission products beyond those identified herein. The work described in this report involves comparison of FP&MA worths calculated using SCALE and MCNP with ENDF/B-V, -VI, and -VII based nuclear data and supports use of the 1.5% FP&MA worth bias when either SCALE or MCNP codes are used for criticality calculations, provided the other conditions of the recommendation 4 are met. The method used in this report may also be applied to demonstrate the applicability of the 1.5% FP&MA worth bias to other codes using ENDF/B V, VI or VII based nuclear data. The method involves use of the applicant s computational method to generate FP&MA worths for a reference SNF cask model using specified spent fuel compositions. The applicant s FP&MA worths are then compared to reference values provided in this report. The applicants FP&MA worths should not exceed the reference results by more than 1.5% of the reference FP&MA worths.

  4. An inverse analysis reveals limitations of the soil-CO2 profile method to calculate CO2 production and efflux for well-structured soils

    Directory of Open Access Journals (Sweden)

    M. D. Corre

    2010-08-01

    Full Text Available Soil respiration is the second largest flux in the global carbon cycle, yet the underlying below-ground process, carbon dioxide (CO2 production, is not well understood because it can not be measured in the field. CO2 production has frequently been calculated from the vertical CO2 diffusive flux divergence, known as "soil-CO2 profile method". This relatively simple model requires knowledge of soil CO2 concentration profiles and soil diffusive properties. Application of the method for a tropical lowland forest soil in Panama gave inconsistent results when using diffusion coefficients (D calculated based on relationships with soil porosity and moisture ("physically modeled" D. Our objective was to investigate whether these inconsistencies were related to (1 the applied interpolation and solution methods and/or (2 uncertainties in the physically modeled profile of D. First, we show that the calculated CO2 production strongly depends on the function used to interpolate between measured CO2 concentrations. Secondly, using an inverse analysis of the soil-CO2 profile method, we deduce which D would be required to explain the observed CO2 concentrations, assuming the model perception is valid. In the top soil, this inversely modeled D closely resembled the physically modeled D. In the deep soil, however, the inversely modeled D increased sharply while the physically modeled D did not. When imposing a constraint during the fit parameter optimization, a solution could be found where this deviation between the physically and inversely modeled D disappeared. A radon (Rn mass balance model, in which diffusion was calculated based on the physically modeled or constrained inversely modeled D, simulated observed Rn profiles reasonably well. However, the CO2 concentrations which corresponded to the constrained inversely modeled D were too small compared to the measurements. We suggest that, in well-structured soils, a missing description of steady state CO2

  5. Declination Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Declination is calculated using the current International Geomagnetic Reference Field (IGRF) model. Declination is calculated using the current World Magnetic Model...

  6. Correlation between Dermatology Life Quality Index (DLQI) scores and Work Limitations Questionnaire (WLQ) allows the calculation of percent work productivity loss in patients with psoriasis.

    Science.gov (United States)

    Schmitt, Jochen; Küster, Denise

    2015-07-01

    Data on indirect costs are vital for cost-effectiveness studies from a societal perspective. In contrast to quality of life, information on productivity loss is rarely collected in psoriasis trials. We aimed to identify a model to deduce indirect costs (presenteeism and absenteeism) of psoriasis from the Dermatologic Life Quality Index (DLQI) of affected patients to facilitate health economic evaluations for psoriasis. We undertook a cross-sectional mapping study including 201 patients with physician-diagnosed psoriasis and investigated the relationship between quality of life (DLQI) and productivity loss (Work Limitations Questionnaire, WLQ--using the "output demands" subscale) using linear bootstrap regression analysis to set up an equation model allowing the calculation of percent work productivity loss per DLQI unit increase. DLQI and WLQ scores were significantly correlated (r = 0.47; p work productivity loss due to psoriasis can be estimated from DLQI scores using the equations, Y = 0.545 × DLQI score + 1.654 for presenteeism (%) and Y = 0.560 × DLQI score + 0.536 for absenteeism (%).

  7. Optimization study and neutronic and thermal-hydraulic design calculations of a 75 KWTH aqueous homogeneous reactor for medical isotopes production

    Energy Technology Data Exchange (ETDEWEB)

    Perez, Daniel Milian; Lorenzo, Daniel E. Milian; Garcia, Lorena P. Rodriguez; Llanes, Jesus Salomon; Hernandez, Carlos R. Garcia, E-mail: dperez@instec.cu, E-mail: dmilian@instec.cu, E-mail: lorenapilar@instec.cu, E-mail: cgh@instec.cu [Instituto Superior de Tecnologias y Ciencias Aplicadas (InSTEC), La Habana (Cuba); Lira, Carlos A. Brayner de Oliveira, E-mail: cabol@ufpe.br [Universidade Federal de Pernambuco (UFPE), Recife (Brazil); Rodriguez, Manuel Cadavid, E-mail: mcadavid2001@yahoo.com [Tecnologia Nuclear Medica Spa, TNM (Chile)

    2015-07-01

    {sup 99m}Tc is the most common radioisotope used in nuclear medicine. It is a very useful radioisotope, which is used in about 30-40 million procedures worldwide every year. Medical diagnostic imaging techniques using {sup 99m}Tc represent approximately 80% of all nuclear medicine procedures. Although {sup 99m}Tc can be produced directly on a cyclotron or other type of particle accelerator, currently is almost exclusively produced from the beta-decay of its 66-h parent {sup 99}Mo. {sup 99}Mo production system in an Aqueous Homogeneous Reactor (AHR) is potentially advantageous because of its low cost, small critical mass, inherent passive safety, and simplified fuel handling, processing and purification characteristics. In this paper, an AHR conceptual design using Low Enriched Uranium (LEU) is studied and optimized for the production of {sup 99}Mo. Aspects related with the neutronic behavior such as optimal reflector thickness, critical height, medical isotopes production and the reactivity feedback introduced in the solution by the volumetric expansion of the fuel solution due to thermal expansion of the fuel solution and the void volume generated by radiolytic gas bubbles were evaluated. Thermal-hydraulics studies were carried out in order to show that sufficient cooling capacity exists to prevent fuel overheating. The neutronic and thermal-hydraulics calculations have been performed with the MCNPX computational code and the version 14 of ANSYS CFX respectively. The neutronic calculations demonstrated that the reactor is able to produce 370 six-day curies of {sup 99}Mo in 5 days operation cycles and the CFD simulation demonstrated that the heat removal systems provide sufficient cooling capacity to prevent fuel overheating, the maximum temperature reached by the fuel (89.29 deg C) was smaller to the allowable temperature limit (90 deg C). (author)

  8. Photovoltaic power plants: production calculation

    Energy Technology Data Exchange (ETDEWEB)

    Cirillo, E.; Lazzarin, R.

    Rational sizing of a photovoltaic plant requires a good evaluation of the obtainable electric energy as a function of the many meteorological and plant parameters. A computing procedure is described in detail together with a fully developed numerical example. The procedure is based on monthly usability. It is reliable and it allows designers to take into account the influence of the main plant parameters within rather wide ranges.

  9. MEMS Calculator

    Science.gov (United States)

    SRD 166 MEMS Calculator (Web, free access)   This MEMS Calculator determines the following thin film properties from data taken with an optical interferometer or comparable instrument: a) residual strain from fixed-fixed beams, b) strain gradient from cantilevers, c) step heights or thicknesses from step-height test structures, and d) in-plane lengths or deflections. Then, residual stress and stress gradient calculations can be made after an optical vibrometer or comparable instrument is used to obtain Young's modulus from resonating cantilevers or fixed-fixed beams. In addition, wafer bond strength is determined from micro-chevron test structures using a material test machine.

  10. Calculation of Nuclear Particles Production at High-Energy Photon Beams from a Linac Operating at 6, 10 and 15 MV.

    Science.gov (United States)

    Marchesini, Renato; Bettega, Daniela; Calzolari, Paola; Pignoli, Emanuele

    2016-08-13

    Production of photonuclear particles in a tissue-equivalent medium has been calculated for linacs at 6, 10 and 15 MV from Varian TrueBeam. Based on the knowledge of bremsstrahlung fluence spectra and linac photon beam parameters, numerical integration was performed on the cross sections for photoparticle production of the constituent elements of tissue ((2)H,(12)C,(13)C,(16)O,(17)O,(18)O,(14)N,(15)N). At 15 MV, at the depth of photon maximum dose, the total absorbed dose due to neutrons, protons, alphas and residual nuclei from photon reactions in tissue (5.5E-05 Gy per Gy of photons) is comparable to that due to neutrons from accelerator head. Results reasonably agree with data reported in the literature using Monte Carlo models simulating linac head components. This work suggests a simple method to estimate the dose contributed by the photon-induced nuclear particles for high-energy photon beams produced by linacs in use, as it might be relevant for late stochastic effects.

  11. Productivity calculation model of exploding induced fracturing wells%燃爆诱导压裂油井产能计算模型

    Institute of Scientific and Technical Information of China (English)

    刘静; 蒲春生; 张鹏; 任福建

    2012-01-01

    油井燃爆压裂或燃爆诱导水力压裂在低渗油田开发中地位越来越重要,而对近井地带多裂缝系统的产能研究较少,难以支撑压裂参数的定量优化.针对该问题,基于带有多裂缝单井物理模型,利用油藏渗流理论和节点系统分析的方法,建立了燃爆诱导压裂油井产能计算模型,并分析了不同裂缝长度和裂缝条数对油井产能的影响.结果表明,油井产能随着裂缝长度近似线性增加,随着裂缝条数的增加也逐步增加,但超过5条增加幅度减缓.研究成果对燃爆压裂设计和压后产能评测具有一定的指导作用.%Oil well exploding fracturing and exploding induced hydraulic fracturing is playing a more im-portant role in low permeability oil field development. There are few research about production with multi-fracture system in near wellbore area, so that it is difficult to support the quantitative optimization of frac-ture parameters. To solve the problem, based on the physical model of single well with multi-fracture, oil well productivity calculation model was built using the theory of fluid flow in porous media and the nodal system analysis method. The effect of fracture length and number on oil well productivity were analyzed. The results showed that oil well productivity almost linearly increased with the length of fracture, and it is also gradually increased with the number of fracture, but the rate of increased become slowly if there are more than five fractures. The reseach has a guiding role for exploding fracturing design and productivity forecast.

  12. Calculation of Greenhouse Gases Emission from Agricultural Production in China%中国农业生产温室气体排放量的测算

    Institute of Scientific and Technical Information of China (English)

    闵继胜; 胡浩

    2012-01-01

    As China is a large agricultural country, and China' s greenhouse gases of agricultural production occupy a great proportion in the total greenhouse gases emission, it is very important to calculate greenhouse gases from the agricultural production process in China. In light of the previous research and various greenhouse gases emission factors of crop and livestock, this study aimed at preliminarily calculating the greenhouse gases emission from agricultural production in China during 1991 -2008. We found that: (1) Methane emission of crop decreased from 9 995 000 t in 1991 to 9 314 400 t in 2008, but nitrous oxide emission of crop increased from 346 700 t in 1991 to 487 400 t in 2008. (2) Methane and nitrous oxide emission of livestock showed a trend of "inverse U-shape" : Methane emission increased from 7 635 300 t in 1991 to 11 114 300 t in 2006 and then decreased to 9 007 400 t in 2008. Nitrous oxide emission increased from 353 200 t in 1991 to 559 300 t in 2006 and then decreased to 469 000 t in 2008. (3) On the regional angle, greenhouse gases emission from agricultural production in Sichuan (plus Chongqing City) , Hunan, Jiangsu, Henan, Shandong and Anhui Provinces are in the front ranks of greenhouse gases emission of agricultural production in China.%农业生产的温室气体排放在总排放量中占有较大比重,中国是农业大国,因此,对中国农业生产的温室气体排放量进行测算显得尤为重要.借鉴前人研究,结合农业生产中各种产品的温室气体排放系数,对1991 -2008年中国农业生产的温室气体排放量进行了初步测算.结果表明:①1991-2008年,种植业的CH4排放量从999.5万t下降到931.44万t,N2O的排放量从34.67万t增加到48.74万t;②同期间的畜牧业的CH4和N2O排放量均星先升后降的趋势;CH4排放量从1991年的763.53万t上升到2006年的1111.43万t后,又下降到2008年的900.74万t;N2O排放量从1991年的35.32万t上升到2006年的55.93

  13. Equilibrium and pre-equilibrium calculations of cross-sections of (, ) reactions on 89Y, 90Zr and 94Mo targets used for the production of 89Zr, 90Nb and 94Tc positron-emitting radionuclides

    Indian Academy of Sciences (India)

    R Baldik; H Aytekin; E Tel

    2013-02-01

    In this study, the pre-equilibrium and equilibrium calculations of cross-sections of 89Y(, ), 90Zr$(p, xn)$ and 94Mo(, ) reactions, which were used for the production of 89Zr, 90Nb and 94Tc positron-emitting radioisotopes, have been investigated. Pre-equilibrium calculations have been performed at different proton incident energies by using the hybrid, geometry-dependent-hybrid and full exciton models. The Weisskopf–Ewing model is used for calculating the equilibrium effects at the same incident energies. The calculated results have been discussed and compared with the experimental results.

  14. Calculation and optimization of the copper (II sulphate monohydrate from copper (II sulphate pentahydrate production process in a fluidized bed dryer

    Directory of Open Access Journals (Sweden)

    Kaluđerović-Radoičić Tatjana

    2015-01-01

    Full Text Available In this paper the process of the copper (II sulphate monohydrate from copper (II sulphate pentahydrate (also known as a Blue vitriol or Bluestone production was analyzed. Copper (II sulphate pentahydrate is one of the most important copper salts which has been known since the ancient Egyptians. In the nineteenth century its application as a fungicide was discovered which provoked wide industrial production. Molecule of the copper (II sulphate pentahydrate is a crystalohydrate with five water molecules linked by chemical bonds to a molecule of the copper (II sulphate. Copper (II sulphate exists as a series of compounds that differ in their degree of hydratation. The anhydrous form is a pale green or gray-white powder, whereas the pentahydrate (CuSO4•5H2O, the most commonly encountered salt, is bright blue. In order to obtain copper (II sulphate monohydrate from copper (II sulphate pentahydrate four water molecules need to be removed. To determine the optimum temperature and time required for the removal of four water molecules from a molecule of pentahydrate in this work thermogravimetric (TGA analysis was performed. Thermogravimetric (TGA analysis - dehydration of copper (II sulphate pentahydrate is done using simultaneous TG-DSC thermal analyzer DTG-Q600 SDT from TA Instruments. Analyzes was carried out for two type of samples, the sample containing particles of the average diameter equal to 0.17 mm and the particles of the average diameter 0.5 mm. In addition, fluidization and drying curve was determined using a semi-industrial fluidization column. On top, the industrial fluidization column aimed to produce 300 tones per month of copper (II sulphate monohydrate was designed. Material and energy calculations were performed using software packages Simprosys 3.0 and SuperPro Designer 5.1. Simprosys 3.0 is a software package designed for the modeling and simulation of a drying process as well as for 20 different unit operations. Super

  15. Calculation of greenhouse gas emissions of jatropha oil and jatropha biodiesel as alternative fuels for electricity production in Côte d'Ivoire

    Science.gov (United States)

    Atta, Pascal Atta; N'guessan, Yao; Morin, Celine; Voirol, Anne Jaecker; Descombes, Georges

    2017-02-01

    The electricity in Côte d'Ivoire is mainly produced from fossil energy sources. This causes damages on environment due to greenhouse gas emissions (GHG). The aim of this paper is to calculate the greenhouse gas (GHG) emissions of jatropha oil and jatropha biodiesel as alternative fuels for electricity production in Côte d'Ivoire by using Life Cycle Assessment (LCA) methodology. The functional unit in this LCA is defined as 1 kWh of electricity produced by the combustion of jatropha oil or jatropha biodiesel in the engine of a generator. Two scenarios, called short chain and long chain, were examined in this LCA. The results show that 0.132 kg CO2 equivalent is emitted for the scenario 1 with jatropha oil as an alternative fuel against 0.6376 kg CO2 equivalent for the scenario 2 with jatropha biodiesel as an alternative fuel. An 87 % reduction of kg CO2 equivalent is observed in scenario 1 and a 37 % reduction of kg CO2 equivalent is observed in the scenario 2, when compared with a Diesel fuel.

  16. Calculator calculus

    CERN Document Server

    McCarty, George

    1982-01-01

    How THIS BOOK DIFFERS This book is about the calculus. What distinguishes it, however, from other books is that it uses the pocket calculator to illustrate the theory. A computation that requires hours of labor when done by hand with tables is quite inappropriate as an example or exercise in a beginning calculus course. But that same computation can become a delicate illustration of the theory when the student does it in seconds on his calculator. t Furthermore, the student's own personal involvement and easy accomplishment give hi~ reassurance and en­ couragement. The machine is like a microscope, and its magnification is a hundred millionfold. We shall be interested in limits, and no stage of numerical approximation proves anything about the limit. However, the derivative of fex) = 67.SgX, for instance, acquires real meaning when a student first appreciates its values as numbers, as limits of 10 100 1000 t A quick example is 1.1 , 1.01 , 1.001 , •••• Another example is t = 0.1, 0.01, in the functio...

  17. OFTIFEL PERSONALIZED NUTRITIONAL CALCULATOR

    Directory of Open Access Journals (Sweden)

    Malte BETHKE

    2016-11-01

    Full Text Available A food calculator for elderly people was elaborated by Centiv GmbH, an active partner in the European FP7 OPTIFEL Project, based on the functional requirement specifications and the existing recommendations for daily allowances across Europe, data which were synthetized and used to give aims in amounts per portion. The OPTIFEL Personalised Nutritional Calculator is the only available online tool which allows to determine on a personalised level the required nutrients for elderly people (65+. It has been developed mainly to support nursing homes providing best possible (personalised nutrient enriched food to their patients. The European FP7 OPTIFEL project “Optimised Food Products for Elderly Populations” aims to develop innovative products based on vegetables and fruits for elderly populations to increase length of independence. The OPTIFEL Personalised Nutritional Calculator is recommended to be used by nursing homes.

  18. Computational chemistry of natural products: a comparison of the chemical reactivity of isonaringin calculated with the M06 family of density functionals.

    Science.gov (United States)

    Glossman-Mitnik, Daniel

    2014-07-01

    The M06 family of density functionals has been assessed for the calculation of the molecular structure and properties of the Isonaringin flavonoid that can be an interesting material for dye-sensitized solar cells (DSSC). The chemical reactivity descriptors have been calculated through chemical reactivity theory within DFT (CR-DFT). The active sites for nucleophilic and electrophilic attacks have been chosen by relating them to the Fukui function indices and the dual descriptor f ((2))(r). A comparison between the descriptors calculated through vertical energy values and those arising from the Janak's theorem approximation have been performed in order to check for the validity of the last procedure.

  19. Calculations in apheresis.

    Science.gov (United States)

    Neyrinck, Marleen M; Vrielink, Hans

    2015-02-01

    It's important to work smoothly with your apheresis equipment when you are an apheresis nurse. Attention should be paid to your donor/patient and the product you're collecting. It gives additional value to your work when you are able to calculate the efficiency of your procedures. You must be capable to obtain an optimal product without putting your donor/patient at risk. Not only the total blood volume (TBV) of the donor/patient plays an important role, but also specific blood values influence the apheresis procedure. Therefore, not all donors/patients should be addressed in the same way. Calculation of TBV, extracorporeal volume, and total plasma volume is needed. Many issues determine your procedure time. By knowing the collection efficiency (CE) of your apheresis machine, you can calculate the number of blood volumes to be processed to obtain specific results. You can calculate whether you need one procedure to obtain specific results or more. It's not always needed to process 3× the TBV. In this way, it can be avoided that the donor/patient is needless long connected to the apheresis device. By calculating the CE of each device, you can also compare the various devices for quality control reasons, but also nurses/operators.

  20. CONCEPTUAL STRUCTURALLOGIC DIAGRAM PRODUCTION AUTOMATION EXPERT STUDY ON THE ISSUE OF CORRECTNESS OF CALCULATION OF THE TAX ON PROFIT OF ORGANIZATIONS

    Directory of Open Access Journals (Sweden)

    Andrey N. Ishchenko

    2014-01-01

    Full Text Available In this article the possibility of automation of an expert study on the questionof correctness of tax calculation profi t organization. Considered are the problemsof formalization of the expert research inthis field, specify the structure of imprisonment. The author proposes a conceptual structural-logic diagram automation expertresearch in this area.

  1. Calculation of the temperature in the container unit with a modified design for the production of {sup 99}Mo at the VVR-Ts research reactor facility (IVV.10M)

    Energy Technology Data Exchange (ETDEWEB)

    Kazantsev, A. A., E-mail: kazantsevanatoly@gmail.com [Experimental Scientific Research and Methodology Center Simulation Systems (Russian Federation); Sergeev, V. V. [Leipunsky Institute of Physics and Power Engineering (Russian Federation); Kochnov, O. Yu. [Karpov Institute of Physical Chemistry (Obninsk Branch) (Russian Federation)

    2015-12-15

    The temperature regime is calculated for two different designs of containers with uranium-bearing material for the upgraded VVR-Ts research reactor facility (IVV.10M). The containers are to be used in the production of {sup 99}Mo. It is demonstrated that the modification of the container design leads to a considerable temperature reduction and an increase in the near-wall boiling margin and allows one to raise the amount of material loaded into the container. The calculations were conducted using the international thermohydraulic contour code TRAC intended to analyze the technical safety of water-cooled nuclear power units.

  2. Calculation of oil production performance of the large giant oil fields in the world: based upon oil fields depletion model; Yuden gentai model ni yoru sekai no ogata kyodai yuden no seisan kyodo ni kansuru ichishisan

    Energy Technology Data Exchange (ETDEWEB)

    Nomoto, S. [Japan Oil Development Co. Ltd., Tokyo (Japan); Fujita, K. [The University of Tokyo, Tokyo (Japan)

    1997-05-01

    Data for large giant oil fields with minable reserves of one billion barrels or more were accumulated to structure a new oil field depletion model and estimate production in each oil field. As a result of analyzing events recognized in large giant oil fields, necessity was made clear to correct the conventional oil depletion model. The newly proposed model changes definitions on the depletion period of time, depletion rate, build-up production (during a time period in which production rate increases) and production in a plateau (a time period in which production becomes constant). Two hundred and twenty-five large giant oil fields were classified into those in a depletion period, an initial development phase, and a plateau period. The following findings were obtained as a result of trial calculations using the new model: under an assumption of demand growth rate of 1.5%, oil field groups in the initial development phase will reach the plateau production in the year 2002, and oil fields in the depletion period will continue production decline, hence the production amount after that year will slow down. Because the oil field groups in the plateau period will shift into decline in 2014, the overall production will decrease. The year 2014 is about ten years later than the estimation given recently by Campbell. Undiscovered resources are outside these discussions. 11 refs., 9 figs., 2 tabs.

  3. / production

    Indian Academy of Sciences (India)

    François Arleo; Pol-Bernard Gossiaux; Thierry Gousset; Jörg Aichelin

    2003-04-01

    For more than 25 years /Ψ production has helped to sharpen our understanding of QCD. In proton induced reaction some observations are rather well understood while others are still unclear. The current status of the theory of /Ψ production will be sketched, paying special attention to the issues of formation time and /Ψ re-interaction in a nuclear medium.

  4. Mathematical methods for the energy calculation of the production of sugar cane (Saccharum spp.); Metodos matematicos para o calculo energetico da producao de cana-de-acucar (Saccharum spp.)

    Energy Technology Data Exchange (ETDEWEB)

    Sartori, Maria Marcia P. [UNESP, Botucatu, SP (Brazil). Faculdade de Ciencias Agronomicas. Curso de Pos-graduacao em Energia na Agricultura; Basta, Cesar [UNESP, Botucatu, SP (Brazil). Faculdade de Ciencias Agronomicas. Dept. de Bioestatistica

    1999-07-01

    Sugar-cane crop is very energy consumer and contains a large amount of biomass, which is reused as thermal energy in the production system, although most of it is lost by burning during the manual harvest. The objective of the present work is to calculate the energy consumption of the production of sugar-cane and show the viability of substituting manual harvest (burnt sugar-cane) by mechanical harvest (without burning), and thus utilizing all of the biomass. Two methods were used (using equations and matrices) for the calculation of the gross calorific value of this crop. It was found that the total consumption of manual harvest for production is 138.15 Gcal, distributed approximately as follows: seedlings, 61.85%, fuel 16.68%, fertilizers 13.95%, and agrochemicals 6.87%, being insignificant the consumption of labor and machinery (only 0.65%), and mechanical harvest for production is 151,76 Gcal. Furthermore, the viability of substituting manual harvesting by mechanical harvesting is demonstrated economically as well as energetically. (author)

  5. A comparison of new calculations of 10be production in the earths polar atmosphere by cosmic rays with 10be concentration measurements in polar ice cores between 1939-2005 - a troubling lack of concordance paper #1

    CERN Document Server

    Webber, W R

    2010-01-01

    Using new calculations of 10Be production in the Earths atmosphere which are based on direct measurements of the 11-year solar modulation effects on galactic cosmic rays and spacecraft measurements of the cosmic ray energy spectrum, we have calculated the yearly average production of 10Be in the Earths atmosphere by galactic and solar cosmic rays since 1939. During the last six 11-year cycles the average amplitude of these production changes is 36%. These predictions are compared with measurements of 10Be concentration in polar ice cores in both the Northern and Southern hemisphere over the same time period. We find a large scatter between the predicted and measured yearly average data sets and a low cross correlation ~0.30. Also the normalized regression line slope between 10Be production changes and 10Be concentration changes is found to be only 0.4-0.6; much less than the value of 1.0 expected for a simple proportionality between these quantities, as is typically used for historical projections of the rela...

  6. Stereochemistry of Complex Marine Natural Products by Quantum Mechanical Calculations of NMR Chemical Shifts: Solvent and Conformational Effects on Okadaic Acid

    Directory of Open Access Journals (Sweden)

    Humberto J. Domínguez

    2014-01-01

    Full Text Available Marine organisms are an increasingly important source of novel metabolites, some of which have already inspired or become new drugs. In addition, many of these molecules show a high degree of novelty from a structural and/or pharmacological point of view. Structure determination is generally achieved by the use of a variety of spectroscopic methods, among which NMR (nuclear magnetic resonance plays a major role and determination of the stereochemical relationships within every new molecule is generally the most challenging part in structural determination. In this communication, we have chosen okadaic acid as a model compound to perform a computational chemistry study to predict 1H and 13C NMR chemical shifts. The effect of two different solvents and conformation on the ability of DFT (density functional theory calculations to predict the correct stereoisomer has been studied.

  7. Consistency of neutron cross-section data, S /SUB N/ calculations, and measured tritium production for a 14-MeV neutron-driven sphere of natural lithium deuteride

    Energy Technology Data Exchange (ETDEWEB)

    Reupke, W.A.; Davidson, J.N.; Muir, D.W.

    1982-12-01

    The authors present algorithms, describe a computer program, and gives a computational procedure for the statistical consistency analysis of neutron cross-section data, S /SUB N/ calculations, and measured tritium production in 14-MeV neutron-driven integral assemblies. Algorithms presented include a reduced matrix manipulation technique suitable for manygroup, 14-MeV neutron transport calculations. The computer program incorporates these algorithms and is expanded and improved to facilitate analysis of such integral experiments. Details of the computational procedure are given for a natural lithium deuteride experiment performed at the Los Alamos National Laboratory. Results are explained in terms of calculated cross-section sensitivities and uncertainty estimates. They include a downward adjustment of the /sup 7/Li(n,xt) 14-MeV cross section from 328 + or - 22 to 284 + or - 24 mb, which is supported by the trend of recent differential and integral measurements. It is concluded that with appropriate refinements, the techniques of consistency analysis can be usefully applied to the analysis of 14-MeV neutron-driven tritium production integral experiments.

  8. THE APPLICATION OF ACTIVITY BASED COSTING ARE: ELIMINATION IN THE CALCULATION OF COST OF PRODUCTION PT SEMEN TONASA (PERSERO, PANGKEP REGENCY

    Directory of Open Access Journals (Sweden)

    Firman Menne

    2013-07-01

    Full Text Available Economic conditions should be viewed as the catalyst for developing the ability to intelligently manage resources so that the people of Indonesia can be out of the condition. Effective management and efficiency is reflected in good planning and good planning requires good information. In order to plan well the utilization of company resources to fold the duplicate spiders, company management requires system information revealed by clearly and precisely the facts relating to the activity. PT Semen Tonasa is a fabrication company doing business in the field of cement industry and produces two types of cement, cement or Portland cement type 1 can (OPC and Portland cement (PPC Pazzolan. The benefits that can be gained if the company implemented the system of Activity-Based Costing are: elimination is obtained more accurate information, among others, to improve the quality of decision making. In the ABC product only burdened costs of resources and activities that are used and does not burdened by the cost of the resources and activities. This method causes the cost per unit of a more stable and consistent with the purposes of the imposition of costs to the product result in activity.

  9. Methods For Calculating Thyroid Doses to The Residents Of Ozersk Due to 131I Releases From The Stacks of The Mayak Production Association

    Energy Technology Data Exchange (ETDEWEB)

    Rovny, Sergey I.; Mokrov, Y.; Stukalov, Pavel M.; Beregich, D. A.; Teplyakov, I. I.; Anspaugh, L. R.; Napier, Bruce A.

    2009-10-23

    The Mayak Production Association (MPA) was established in the late 1940s in accordance with a special Decree of the USSR Government for the production of nuclear weapons. In early years of MPA operation, due to the lack of experience and absence of effective methods of RW management, the enterprise had extensive routine (designed) and non-routine (accidental) releases of gaseous radioactive wastes to the atmosphere. These practices resulted in additional technogenic radiation exposure of residents inhabiting populated areas near the MPA. The primary objective of ongoing studies under JCCRER Project 1.4 is to estimate doses to the residents of Ozersk due to releases of radioactive substances from the stacks of MPA. Preliminary scoping studies have demonstrated that releases of radioactive iodine (131I) from the stacks of the Mayak Radiochemical Plant represented the major contribution to the dose to residents of Ozersk and of other nearby populated areas. The behavior of 131I in the environment and of 131I migration through biological food chains (vegetation-cows-milk-humans) indicated a need for use of special mathematical models to perform the estimation of radiation doses to the population. The goal of this work is to select an appropriate model of the iodine migration in biological food chains and to justify numerical values of the model parameters.

  10. Equilibrium calculations of firework mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Hobbs, M.L. [Sandia National Labs., Albuquerque, NM (United States); Tanaka, Katsumi; Iida, Mitsuaki; Matsunaga, Takehiro [National Inst. of Materials and Chemical Research, Tsukuba, Ibaraki (Japan)

    1994-12-31

    Thermochemical equilibrium calculations have been used to calculate detonation conditions for typical firework components including three report charges, two display charges, and black powder which is used as a fuse or launch charge. Calculations were performed with a modified version of the TIGER code which allows calculations with 900 gaseous and 600 condensed product species at high pressure. The detonation calculations presented in this paper are thought to be the first report on the theoretical study of firework detonation. Measured velocities for two report charges are available and compare favorably to predicted detonation velocities. However, the measured velocities may not be true detonation velocities. Fast deflagration rather than an ideal detonation occurs when reactants contain significant amounts of slow reacting constituents such as aluminum or titanium. Despite such uncertainties in reacting pyrotechnics, the detonation calculations do show the complex nature of condensed phase formation at elevated pressures and give an upper bound for measured velocities.

  11. Relativistic calculations of the K-K charge transfer and K-vacancy production probabilities in low-energy ion-atom collisions

    CERN Document Server

    Tupitsyn, I I; Shabaev, V M; Bondarev, A I; Deyneka, G B; Maltsev, I A; Hagmann, S; Plunien, G; Stoehlker, Th

    2011-01-01

    The previously developed technique for evaluation of charge-transfer and electron-excitation processes in low-energy heavy-ion collisions [I.I. Tupitsyn et al., Phys. Rev. A 82, 042701(2010)] is extended to collisions of ions with neutral atoms. The method employs the active electron approximation, in which only the active electron participates in the charge transfer and excitation processes while the passive electrons provide the screening DFT potential. The time-dependent Dirac wave function of the active electron is represented as a linear combination of atomic-like Dirac-Fock-Sturm orbitals, localized at the ions (atoms). The screening DFT potential is calculated using the overlapping densities of each ions (atoms), derived from the atomic orbitals of the passive electrons. The atomic orbitals are generated by solving numerically the one-center Dirac-Fock and Dirac-Fock-Sturm equations by means of a finite-difference approach with the potential taken as the sum of the exact reference ion (atom) Dirac-Fock...

  12. Calculation Research of Hydrogen Production Amount in Containment after LOCAL in PWR Nuclear Power Plants%压水堆核电厂失水事故后安全壳内产氢量计算研究

    Institute of Scientific and Technical Information of China (English)

    胡建军

    2013-01-01

    The ORIGEN2 code is adopted to calculate the amount of hydrogen production in the core and sump region after LOCAL in PWR nuclear power plants,to reduce the conservatism for the design evaluation of the combustible gas control in the containment.The calculation model of radiolytic decomposition coolant and other related calculation model are used to calculate the amount of hYdrogen production after LOCA in a 600MW PWR nuclear power plant,and the results show that over conservatism of the original evaluation,and there still exists abundant time to prepare and startup the hydrogen recombiners in the containment after LOCAL.%采用ORIGEN2程序对压水堆核电厂失水事故工况下堆芯区和地坑区氢气的产生量进行计算,以合理减少安全壳内可燃气体的控制设计评价的保守性.通过冷却剂的辐照分解产氢以及其他相关计算模型,对600MW(电功率)级压水堆核电厂失水事故工况下的氢气产生量进行计算.计算结果表明原评价结果过于保守,在核电厂失水事故后仍有充分的时间准备投入安全壳内氢气复合器.

  13. Accounting for population variation in targeted proteomics

    Energy Technology Data Exchange (ETDEWEB)

    Fujimoto, Grant M.; Monroe, Matthew E.; Rodriguez, Larissa M.; Wu, Chaochao; MacLean, Brendan; Smith, Richard D.; MacCoss, Michael; Payne, Samuel H.

    2014-01-03

    Individual proteomes typically differ from the reference human proteome at ~10,000 single amino acid variants. When viewed at the population scale, this individual variation results in a wide variety of protein sequences. In targeted proteomics experiments, such variability would confound accurate protein quantification. To facilitate researchers in identifying target peptides with high variability within the human population we have created the Population Variation plug-in for Skyline, which provides easy access to the polymorphisms stored in dbSNP. Given a set of peptides, the tool reports minor allele frequency for common polymorphisms. We highlight the importance of considering genetic variation by applying the tool to public datasets.

  14. Quantum chromodynamics in hadron collider experiments: towards automated one-loop calculations for multi-particle processes. Application to the production of 2 photons and 1 jet; Chromodynamique quantique aux collisionneurs hadroniques: vers une automatisation du calcul des processus multi-particules a l'ordre d'une boucle. Application a la production de deux photons et un jet

    Energy Technology Data Exchange (ETDEWEB)

    Mahmoudi, F

    2004-06-01

    The future CERN collider (LHC) has a fantastic potential of discovery, provided quantum chromodynamics can be quantitatively predicted. To do so, it is necessary to work at NLO approximation in order to reduce the dependence of the -cross-section on- the non-physical scales. To obtain results in this approximation, one has to calculate the cross-sections of the partonic subprocesses contributing to the studied reaction at the lowest order, and also the virtual corrections (loop corrections) and the real corrections. The calculation of the virtual corrections remains very complicated if the number of external particles is greater than four or if the external (internal) particles are massive. in this thesis, an automatic method which enables to calculate one loop diagrams with five external legs and which can be generalized to the case of massive particles is presented. In a first part, we describe different tools and methods necessary to such calculations. We then apply -them to the calculation of the gg {yields}{gamma}{gamma} g reaction, which interests the ATLAS and CMS experimentalists as the background for the Higgs boson search. We also give the explicit result for this amplitude for each helicity configuration in a compact form and a clearly gauge invariant representation. We finally present a phenomenological study of this reaction. (author)

  15. Comparison of Domestic and International Calculation Methods of CO2 Emission from Cement Production and the Enlightenments for China%水泥生产碳排放测算的国内外方法比较及借鉴

    Institute of Scientific and Technical Information of China (English)

    魏丹青; 赵建安; 金迁致

    2012-01-01

    The comparison of domestic and international calculation methods of CO2 emission from cement production has important reference value for establishing national calculation standards of CO2 emission from cement production.At present,international organizations like Intergovernmental Panel on Climate Change(IPCC)and World Business Council for Sustainable Development(WDCSD)have promulgated a series of universally applicable methods,and a number of developed countries have also proposed their own calculation systems.In this paper,we first briefly introduced the domestic and international calculation methods of CO2 emission from cement production,and performed a comparison of these methods from four aspects,including operational boundaries,raw material calcination emissions,fuel combustion emissions and indirect emissions.Then we made a discussion about the accuracy and applicability of those methods.The conclusions are as follows:1)Those systems are approximately same in the framework of calculation process,but there are differences in operational boundaries,calculating methods and CO2 emission factors;2)WBCSD-Cement Sustainability Initiative provides the methods of setting operational boundaries for countries or enterprises to choose the scope of accounting and reporting;3)On plant level,calcination CO2 can be calculated in two ways:based on the quantity and composition of the raw mix consumed or based on the clinker produced plus discarded dust.The two approaches are,in theory,equivalent.On country level,the latter approach is usually adopted;4)CO2 from fossil kiln fuels(coal,fuel oil and natural gas)is calculated based on fuel consumption,net calorific values,and CO2 emission factors.For China,low calorific value is applicable;5)On country level,the emissions of external production of electricity consumption should be included in the gross emissions,while indirect emission savings such as heat and power exports should be subtracted from the

  16. Magnetic Field Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Calculator will calculate the total magnetic field, including components (declination, inclination, horizontal intensity, northerly intensity,...

  17. Status Report of NNLO QCD Calculations

    CERN Document Server

    Klasen, M

    2005-01-01

    We review recent progress in next-to-next-to-leading order (NNLO) perturbative QCD calculations with special emphasis on results ready for phenomenological applications. Important examples are new results on structure functions and jet or Higgs boson production. In addition, we describe new calculational techniques based on twistors and their potential for efficient calculations of multiparticle amplitudes.

  18. Transfer Area Mechanical Handling Calculation

    Energy Technology Data Exchange (ETDEWEB)

    B. Dianda

    2004-06-23

    This calculation is intended to support the License Application (LA) submittal of December 2004, in accordance with the directive given by DOE correspondence received on the 27th of January 2004 entitled: ''Authorization for Bechtel SAX Company L.L. C. to Include a Bare Fuel Handling Facility and Increased Aging Capacity in the License Application, Contract Number DE-AC28-01R W12101'' (Arthur, W.J., I11 2004). This correspondence was appended by further Correspondence received on the 19th of February 2004 entitled: ''Technical Direction to Bechtel SAIC Company L.L. C. for Surface Facility Improvements, Contract Number DE-AC28-OIRW12101; TDL No. 04-024'' (BSC 2004a). These documents give the authorization for a Fuel Handling Facility to be included in the baseline. The purpose of this calculation is to establish preliminary bounding equipment envelopes and weights for the Fuel Handling Facility (FHF) transfer areas equipment. This calculation provides preliminary information only to support development of facility layouts and preliminary load calculations. The limitations of this preliminary calculation lie within the assumptions of section 5 , as this calculation is part of an evolutionary design process. It is intended that this calculation is superseded as the design advances to reflect information necessary to support License Application. The design choices outlined within this calculation represent a demonstration of feasibility and may or may not be included in the completed design. This calculation provides preliminary weight, dimensional envelope, and equipment position in building for the purposes of defining interface variables. This calculation identifies and sizes major equipment and assemblies that dictate overall equipment dimensions and facility interfaces. Sizing of components is based on the selection of commercially available products, where applicable. This is not a specific recommendation for the future use

  19. Geochemical Calculations Using Spreadsheets.

    Science.gov (United States)

    Dutch, Steven Ian

    1991-01-01

    Spreadsheets are well suited to many geochemical calculations, especially those that are highly repetitive. Some of the kinds of problems that can be conveniently solved with spreadsheets include elemental abundance calculations, equilibrium abundances in nuclear decay chains, and isochron calculations. (Author/PR)

  20. Autistic Savant Calendar Calculators.

    Science.gov (United States)

    Patti, Paul J.

    This study identified 10 savants with developmental disabilities and an exceptional ability to calculate calendar dates. These "calendar calculators" were asked to demonstrate their abilities, and their strategies were analyzed. The study found that the ability to calculate dates into the past or future varied widely among these…

  1. Application of Farmland Productivity Calculation to Compensation Mechanism Construction in Cultivated Land Protection%农用地产能核算在耕地保护补偿机制构建中的应用

    Institute of Scientific and Technical Information of China (English)

    郑秀敏; 张传新

    2011-01-01

    Based on the definition of regional compensation for cultivated land protection; this paper analyzes the connection between farmland productivity calculation and regional cultivated land protection compensation mechanism, and attempts to design a technical route of regional cultivated land protection compensation mechanism and steps of regional cultivated land protection compensation. Meanwhile, according to the design of the technical route and compensation procedures, it also puts forward proposals to build regional cultivated land protection compensation mechanism from the perspective of policies and operation in order to provide a useful reference for the current cultivated land protection mechanism, which has intersected calculations to quantity and quality of cultivated land.%在界定区域耕地保护补偿的基础上,对农用地产能核算与区域耕地保护补偿机制的联系进行分析,并设计了基于农用地产能核算结果的区域耕地保护补偿机制技术路线和区域耕地保护补偿步骤.同时,根据设计的技术路线和补偿步骤,从政策层面和操作层面提出了构建完善区域耕地保护补偿机制的建议,以期为改善目前耕地数量和质量分割计算的耕地保护机制提供有益参考.

  2. How Do Calculators Calculate Trigonometric Functions?

    Science.gov (United States)

    Underwood, Jeremy M.; Edwards, Bruce H.

    How does your calculator quickly produce values of trigonometric functions? You might be surprised to learn that it does not use series or polynomial approximations, but rather the so-called CORDIC method. This paper will focus on the geometry of the CORDIC method, as originally developed by Volder in 1959. This algorithm is a wonderful…

  3. Electronics reliability calculation and design

    CERN Document Server

    Dummer, Geoffrey W A; Hiller, N

    1966-01-01

    Electronics Reliability-Calculation and Design provides an introduction to the fundamental concepts of reliability. The increasing complexity of electronic equipment has made problems in designing and manufacturing a reliable product more and more difficult. Specific techniques have been developed that enable designers to integrate reliability into their products, and reliability has become a science in its own right. The book begins with a discussion of basic mathematical and statistical concepts, including arithmetic mean, frequency distribution, median and mode, scatter or dispersion of mea

  4. Core calculations of JMTR

    Energy Technology Data Exchange (ETDEWEB)

    Nagao, Yoshiharu [Japan Atomic Energy Research Inst., Oarai, Ibaraki (Japan). Oarai Research Establishment

    1998-03-01

    In material testing reactors like the JMTR (Japan Material Testing Reactor) of 50 MW in Japan Atomic Energy Research Institute, the neutron flux and neutron energy spectra of irradiated samples show complex distributions. It is necessary to assess the neutron flux and neutron energy spectra of an irradiation field by carrying out the nuclear calculation of the core for every operation cycle. In order to advance core calculation, in the JMTR, the application of MCNP to the assessment of core reactivity and neutron flux and spectra has been investigated. In this study, in order to reduce the time for calculation and variance, the comparison of the results of the calculations by the use of K code and fixed source and the use of Weight Window were investigated. As to the calculation method, the modeling of the total JMTR core, the conditions for calculation and the adopted variance reduction technique are explained. The results of calculation are shown. Significant difference was not observed in the results of neutron flux calculations according to the difference of the modeling of fuel region in the calculations by K code and fixed source. The method of assessing the results of neutron flux calculation is described. (K.I.)

  5. 急件冲击下关键设备生产缓冲的 GERT 模型%A GERT Model for Calculating the Production Buffering of Critical Equipment with Urgent Jobs Considered

    Institute of Scientific and Technical Information of China (English)

    刘远; 郝晶晶; 应洪斌

    2014-01-01

    为了降低非预期生产急件对关键设备正常生产活动的冲击,保证生产计划的稳定性,研究了关键设备的应急生产缓冲设计问题,为生产管理者合理地确定预留产能提供了理论依据。结合排队理论,分析了生产急件到达和处理活动,证明其属于一类负指数随机过程,揭示了生产状态的动态转移规律和实现条件;将关键设备组的急件加工过程描述为一类GERT( graphic evaluation and review technology )模型,测算状态转移过程的状态转移参数和矩母函数;结合梅森公式,设计系统状态稳态概率的求解方法,分析关键设备生产缓冲与稳态概率之间的关系,探寻其定量化表征。通过某研究院加工中心设备组的案例研究,发现关键设备组因急件冲突导致月生产计划变更的情况平均降低14.6%,较好地控制生产计划与调度工作的不良波动,从而验证了模型和方法的可行性和适用性。%In order to reduce the negative fluctuation of unexpected urgent jobs on the normal production of critical equipment and assure the consistency of production schedule , a novel method for determining the production buffering of critical equipment in a manufacturing system containing unexpected urgent jobs is developed .The production manager can confirm the proper reserved capabilities according to the research result .Specifically , the procedures of urgent job arrival and manufacturing are discussed based on the queuing theory with a negative exponential distribution , and the transferring rules and realistic conditions are revealed.Additionally, a kind of graphic evaluation and review technology (GERT) model is utilized to describe the operation of urgent jobs in critical equipment and the transfer between adjacent nodes is studied.In doing so, the node transferring parameters and the moment generating functions are calculated . Furthermore , by the Mason rule , the

  6. Advances in targeted proteomics and applications to biomedical research

    Science.gov (United States)

    Shi, Tujin; Song, Ehwang; Nie, Song; Rodland, Karin D.; Liu, Tao; Qian, Wei-Jun; Smith, Richard D.

    2016-01-01

    Targeted proteomics technique has emerged as a powerful protein quantification tool in systems biology, biomedical research, and increasing for clinical applications. The most widely used targeted proteomics approach, selected reaction monitoring (SRM), also known as multiple reaction monitoring (MRM), can be used for quantification of cellular signaling networks and preclinical verification of candidate protein biomarkers. As an extension to our previous review on advances in SRM sensitivity herein we review recent advances in the method and technology for further enhancing SRM sensitivity (from 2012 to present), and highlighting its broad biomedical applications in human bodily fluids, tissue and cell lines. Furthermore, we also review two recently introduced targeted proteomics approaches, parallel reaction monitoring (PRM) and data-independent acquisition (DIA) with targeted data extraction on fast scanning high-resolution accurate-mass (HR/AM) instruments. Such HR/AM targeted quantification with monitoring all target product ions addresses SRM limitations effectively in specificity and multiplexing; whereas when compared to SRM, PRM and DIA are still in the infancy with a limited number of applications. Thus, for HR/AM targeted quantification we focus our discussion on method development, data processing and analysis, and its advantages and limitations in targeted proteomics. Finally, general perspectives on the potential of achieving both high sensitivity and high sample throughput for large-scale quantification of hundreds of target proteins are discussed. PMID:27302376

  7. Advances in targeted proteomics and applications to biomedical research

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Tujin [Biological Sciences Division and Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA USA; Song, Ehwang [Biological Sciences Division and Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA USA; Nie, Song [Biological Sciences Division and Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA USA; Rodland, Karin D. [Biological Sciences Division and Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA USA; Liu, Tao [Biological Sciences Division and Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA USA; Qian, Wei-Jun [Biological Sciences Division and Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA USA; Smith, Richard D. [Biological Sciences Division and Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA USA

    2016-08-01

    Targeted proteomics technique has emerged as a powerful protein quantification tool in systems biology, biomedical research, and increasing for clinical applications. The most widely used targeted proteomics approach, selected reaction monitoring (SRM), also known as multiple reaction monitoring (MRM), can be used for quantification of cellular signaling networks and preclinical verification of candidate protein biomarkers. As an extension to our previous review on advances in SRM sensitivity (Shi et al., Proteomics, 12, 1074–1092, 2012) herein we review recent advances in the method and technology for further enhancing SRM sensitivity (from 2012 to present), and highlighting its broad biomedical applications in human bodily fluids, tissue and cell lines. Furthermore, we also review two recently introduced targeted proteomics approaches, parallel reaction monitoring (PRM) and data-independent acquisition (DIA) with targeted data extraction on fast scanning high-resolution accurate-mass (HR/AM) instruments. Such HR/AM targeted quantification with monitoring all target product ions addresses SRM limitations effectively in specificity and multiplexing; whereas when compared to SRM, PRM and DIA are still in the infancy with a limited number of applications. Thus, for HR/AM targeted quantification we focus our discussion on method development, data processing and analysis, and its advantages and limitations in targeted proteomics. Finally, general perspectives on the potential of achieving both high sensitivity and high sample throughput for large-scale quantification of hundreds of target proteins are discussed.

  8. Prospective Power Calculations for the Four Lab Study of A Multigenerational Reproductive/Developmental Toxicity Rodent Bioassay Using A Complex Mixture of Disinfection By-Products in the Low-Response Region

    Directory of Open Access Journals (Sweden)

    Jane Ellen Simmons

    2011-10-01

    Full Text Available In complex mixture toxicology, there is growing emphasis on testing environmentally representative doses that improve the relevance of results for health risk assessment, but are typically much lower than those used in traditional toxicology studies. Traditional experimental designs with typical sample sizes may have insufficient statistical power to detect effects caused by environmentally relevant doses. Proper study design, with adequate statistical power, is critical to ensuring that experimental results are useful for environmental health risk assessment. Studies with environmentally realistic complex mixtures have practical constraints on sample concentration factor and sample volume as well as the number of animals that can be accommodated. This article describes methodology for calculation of statistical power for non-independent observations for a multigenerational rodent reproductive/developmental bioassay. The use of the methodology is illustrated using the U.S. EPA’s Four Lab study in which rodents were exposed to chlorinated water concentrates containing complex mixtures of drinking water disinfection by-products. Possible experimental designs included two single-block designs and a two-block design. Considering the possible study designs and constraints, a design of two blocks of 100 females with a 40:60 ratio of control:treated animals and a significance level of 0.05 yielded maximum prospective power (~90% to detect pup weight decreases, while providing the most power to detect increased prenatal loss.

  9. Calculating MIPS: Resource productivity of products and services

    OpenAIRE

    Ritthoff, Michael; Rohn, Holger; Liedtke, Christa

    2002-01-01

    This manual sets out to be an instruction guide for the implementation of analyses according to the MIPS concept. MIPS stands for Material Input Per Service unit, a measure developed at the Wuppertal Institute, which serves as an indicator of precautionary environmental protection. However, this publication is not a comprehensive description of the methods used, but should rather be seen as supplementing existing publications, in particular, the MAIA Handbook. This practical guide contains ad...

  10. Electrical installation calculations advanced

    CERN Document Server

    Kitcher, Christopher

    2013-01-01

    All the essential calculations required for advanced electrical installation workThe Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike. The book provides a step-by-step guide to the successful application of electrical installation calculations required in day-to-day electrical engineering practiceA step-by-step guide to everyday calculations used on the job An essential aid to the City & Guilds certificates at Levels 2 and 3For apprentices and electrical installatio

  11. Electrical installation calculations basic

    CERN Document Server

    Kitcher, Christopher

    2013-01-01

    All the essential calculations required for basic electrical installation workThe Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike. The book provides a step-by-step guide to the successful application of electrical installation calculations required in day-to-day electrical engineering practice. A step-by-step guide to everyday calculations used on the job An essential aid to the City & Guilds certificates at Levels 2 and 3Fo

  12. Calculating correct compilers

    DEFF Research Database (Denmark)

    Bahr, Patrick; Hutton, Graham

    2015-01-01

    In this article, we present a new approach to the problem of calculating compilers. In particular, we develop a simple but general technique that allows us to derive correct compilers from high-level semantics by systematic calculation, with all details of the implementation of the compilers...... falling naturally out of the calculation process. Our approach is based upon the use of standard equational reasoning techniques, and has been applied to calculate compilers for a wide range of language features and their combination, including arithmetic expressions, exceptions, state, various forms...

  13. Radar Signature Calculation Facility

    Data.gov (United States)

    Federal Laboratory Consortium — FUNCTION: The calculation, analysis, and visualization of the spatially extended radar signatures of complex objects such as ships in a sea multipath environment and...

  14. Electronics Environmental Benefits Calculator

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Electronics Environmental Benefits Calculator (EEBC) was developed to assist organizations in estimating the environmental benefits of greening their purchase,...

  15. Direct calculation of wind turbine tip loss

    DEFF Research Database (Denmark)

    Wood, D.H.; Okulov, Valery; Bhattacharjee, D.

    2016-01-01

    . We develop three methods for the direct calculation of the tip loss. The first is the computationally expensive calculation of the velocities induced by the helicoidal wake which requires the evaluation of infinite sums of products of Bessel functions. The second uses the asymptotic evaluation...

  16. Computerized calculation of material balances in carbonization

    Energy Technology Data Exchange (ETDEWEB)

    Chistyakov, A.M.

    1980-09-01

    Charge formulations and carbonisation schedules are described by empirical formulae used to calculate the yield of coking products. An algorithm is proposed for calculating the material balance, and associated computer program. The program can be written in conventional languages, e.g. Fortran, Algol etc. The information obtained can be used for on-line assessment of the effects of charge composition and properties on the coke and by-products yields, as well as the effects of the carbonisation conditions.

  17. Calculators and Polynomial Evaluation.

    Science.gov (United States)

    Weaver, J. F.

    The intent of this paper is to suggest and illustrate how electronic hand-held calculators, especially non-programmable ones with limited data-storage capacity, can be used to advantage by students in one particular aspect of work with polynomial functions. The basic mathematical background upon which calculator application is built is summarized.…

  18. 含掺合料混凝土水化产物体积分数计算及其影响因素%Calculation of concrete with mineral admixture hydration products volume fraction and its influential factors

    Institute of Scientific and Technical Information of China (English)

    吴福飞; 董双快; 宫经伟; 陈亮亮; 李东生; 侍克斌

    2016-01-01

    Powers theory proposes calculation method for the pure volume of cement hydration products, which does not apply to calculate the volume of cementitious materials with mineral admixture. The formula of cementitious materials volume was proposed that based on the basic principles of cement and mineral admixture hydration, and the proposed method of reliability was verified by the results of Powers theoretical model and volume fraction of cement hydration products. On this basis, the factor such as water-cement ratio, the ratio of admixture and types was further researched for the volumes of cementitious materials hydration products. Mixture in test were designed 2 water-cement ratio (0.30 and 0.40, respectively), two content (20% and 60%, respectively) of mineral admixture, and 3 kinds of mineral admixture (lithium slag, fly ash and steel slag, respectively), forming paste that was stirred according with the designed ratio in 5 mL centrifuge tube in a blender and curing to 1, 7, 14, 28, 60 and 90 d in curing room (temperature was (20±1)℃, humidity was not less than 95%), and then testing reaction extent of cement and mineral admixture (such as fly ash, steel slag. lithium slag) according with the chemical bound water and HCl dissolution method. The results showed that hydration extent of lithium slag, fly ash and steel slag at 28d decreased by 46.63%, 69.56% and 74.82% (P<0.05) when mineral admixture content varied from 20% to 60% and water-cement ratio was 0.30. Hydration extent of cement at 28 d was increased by 7.25% when water-cement ratio increased from 0.30 to 0.40. When mineral admixture content varied from 20% to 60%, hydration extent of lithium slag, fly ash and steel slag at 28 d increased by 24.14% 18.56%, 17.61% and 8.84%, 12.21%, and 29.37% (P<0.05), respectively. In contrast, the influence of the mineral admixture content was bigger than water-cement ratio for the hydration extent of composite cementitious materials. In different water-cement ratio

  19. 40 CFR 1065.675 - CLD quench verification calculations.

    Science.gov (United States)

    2010-07-01

    ... verification calculations. Perform CLD quench-check calculations as follows: (a) Perform a CLD analyzer quench... water content in combustion air, fuel combustion products, and dilution air (if applicable). If you... the maximum expected CO2 content in fuel combustion products and dilution air. (d) Calculate quench...

  20. The conundrum of calculating carbon footprints

    DEFF Research Database (Denmark)

    Strobel, Bjarne W.; Erichsen, Anders Christian; Gausset, Quentin

    2016-01-01

    A pre-condition for reducing global warming is to minimise the emission of greenhouse gasses (GHGs). A common approach to informing people about the link between behaviour and climate change rests on developing GHG calculators that quantify the ‘carbon footprint’ of a product, a sector or an actor....... There is, however, an abundance of GHG calculators that rely on very different premises and give very different estimates of carbon footprints. In this chapter, we compare and analyse the main principles of calculating carbon footprints, and discuss how calculators can inform (or misinform) people who wish...

  1. Interval arithmetic in calculations

    Science.gov (United States)

    Bairbekova, Gaziza; Mazakov, Talgat; Djomartova, Sholpan; Nugmanova, Salima

    2016-10-01

    Interval arithmetic is the mathematical structure, which for real intervals defines operations analogous to ordinary arithmetic ones. This field of mathematics is also called interval analysis or interval calculations. The given math model is convenient for investigating various applied objects: the quantities, the approximate values of which are known; the quantities obtained during calculations, the values of which are not exact because of rounding errors; random quantities. As a whole, the idea of interval calculations is the use of intervals as basic data objects. In this paper, we considered the definition of interval mathematics, investigated its properties, proved a theorem, and showed the efficiency of the new interval arithmetic. Besides, we briefly reviewed the works devoted to interval analysis and observed basic tendencies of development of integral analysis and interval calculations.

  2. Unit Cost Compendium Calculations

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Unit Cost Compendium (UCC) Calculations raw data set was designed to provide for greater accuracy and consistency in the use of unit costs across the USEPA...

  3. Calculativeness and trust

    DEFF Research Database (Denmark)

    Frederiksen, Morten

    2014-01-01

    Williamson’s characterisation of calculativeness as inimical to trust contradicts most sociological trust research. However, a similar argument is found within trust phenomenology. This paper re-investigates Williamson’s argument from the perspective of Løgstrup’s phenomenological theory of trust....... Contrary to Williamson, however, Løgstrup’s contention is that trust, not calculativeness, is the default attitude and only when suspicion is awoken does trust falter. The paper argues that while Williamson’s distinction between calculativeness and trust is supported by phenomenology, the analysis needs...... to take actual subjective experience into consideration. It points out that, first, Løgstrup places trust alongside calculativeness as a different mode of engaging in social interaction, rather conceiving of trust as a state or the outcome of a decision-making process. Secondly, the analysis must take...

  4. EFFECTIVE DISCHARGE CALCULATION GUIDE

    Institute of Scientific and Technical Information of China (English)

    D.S.BIEDENHARN; C.R.THORNE; P.J.SOAR; R.D.HEY; C.C.WATSON

    2001-01-01

    This paper presents a procedure for calculating the effective discharge for rivers with alluvial channels.An alluvial river adjusts the bankfull shape and dimensions of its channel to the wide range of flows that mobilize the boundary sediments. It has been shown that time-averaged river morphology is adjusted to the flow that, over a prolonged period, transports most sediment. This is termed the effective discharge.The effective discharge may be calculated provided that the necessary data are available or can be synthesized. The procedure for effective discharge calculation presented here is designed to have general applicability, have the capability to be applied consistently, and represent the effects of physical processes responsible for determining the channel, dimensions. An example of the calculations necessary and applications of the effective discharge concept are presented.

  5. Magnetic Field Grid Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Properties Calculator will computes the estimated values of Earth's magnetic field(declination, inclination, vertical component, northerly...

  6. Current interruption transients calculation

    CERN Document Server

    Peelo, David F

    2014-01-01

    Provides an original, detailed and practical description of current interruption transients, origins, and the circuits involved, and how they can be calculated Current Interruption Transients Calculationis a comprehensive resource for the understanding, calculation and analysis of the transient recovery voltages (TRVs) and related re-ignition or re-striking transients associated with fault current interruption and the switching of inductive and capacitive load currents in circuits. This book provides an original, detailed and practical description of current interruption transients, origins,

  7. Source and replica calculations

    Energy Technology Data Exchange (ETDEWEB)

    Whalen, P.P.

    1994-02-01

    The starting point of the Hiroshima-Nagasaki Dose Reevaluation Program is the energy and directional distributions of the prompt neutron and gamma-ray radiation emitted from the exploding bombs. A brief introduction to the neutron source calculations is presented. The development of our current understanding of the source problem is outlined. It is recommended that adjoint calculations be used to modify source spectra to resolve the neutron discrepancy problem.

  8. Scientific calculating peripheral

    Energy Technology Data Exchange (ETDEWEB)

    Ethridge, C.D.; Nickell, J.D. Jr.; Hanna, W.H.

    1979-09-01

    A scientific calculating peripheral for small intelligent data acquisition and instrumentation systems and for distributed-task processing systems is established with a number-oriented microprocessor controlled by a single component universal peripheral interface microcontroller. A MOS/LSI number-oriented microprocessor provides the scientific calculating capability with Reverse Polish Notation data format. Master processor task definition storage, input data sequencing, computation processing, result reporting, and interface protocol is managed by a single component universal peripheral interface microcontroller.

  9. INVAP's Nuclear Calculation System

    Directory of Open Access Journals (Sweden)

    Ignacio Mochi

    2011-01-01

    Full Text Available Since its origins in 1976, INVAP has been on continuous development of the calculation system used for design and optimization of nuclear reactors. The calculation codes have been polished and enhanced with new capabilities as they were needed or useful for the new challenges that the market imposed. The actual state of the code packages enables INVAP to design nuclear installations with complex geometries using a set of easy-to-use input files that minimize user errors due to confusion or misinterpretation. A set of intuitive graphic postprocessors have also been developed providing a fast and complete visualization tool for the parameters obtained in the calculations. The capabilities and general characteristics of this deterministic software package are presented throughout the paper including several examples of its recent application.

  10. Calculating Quenching Weights

    CERN Document Server

    Salgado, C A; Salgado, Carlos A.; Wiedemann, Urs Achim

    2003-01-01

    We calculate the probability (``quenching weight'') that a hard parton radiates an additional energy fraction due to scattering in spatially extended QCD matter. This study is based on an exact treatment of finite in-medium path length, it includes the case of a dynamically expanding medium, and it extends to the angular dependence of the medium-induced gluon radiation pattern. All calculations are done in the multiple soft scattering approximation (Baier-Dokshitzer-Mueller-Peign\\'e-Schiff--Zakharov ``BDMPS-Z''-formalism) and in the single hard scattering approximation (N=1 opacity approximation). By comparison, we establish a simple relation between transport coefficient, Debye screening mass and opacity, for which both approximations lead to comparable results. Together with this paper, a CPU-inexpensive numerical subroutine for calculating quenching weights is provided electronically. To illustrate its applications, we discuss the suppression of hadronic transverse momentum spectra in nucleus-nucleus colli...

  11. COST MEASUREMENT AND COST MANAGEMENT IN TARGET COSTING

    Directory of Open Access Journals (Sweden)

    Moisello Anna Maria

    2012-07-01

    Full Text Available Firms are coping with a competitive scenario characterized by quick changes produced by internationalization, concentration, restructuring, technological innovation processes and financial market crisis. On the one hand market enlargement have increased the number and the segmentation of customers and have raised the number of competitors, on the other hand technological innovation has reduced product life cycle. So firms have to adjust their management models to this scenario, pursuing customer satisfaction and respecting cost constraints. In a context where price is a variable fixed by the market, firms have to switch from the cost measurement logic to the cost management one, adopting target costing methodology. The target costing process is a price driven, customer oriented profit planning and cost management system. It works, in a cross functional way, from the design stage throughout all the product life cycle and it involves the entire value chain. The process implementation needs a costing methodology consistent with the cost management logic. The aim of the paper is to focus on Activity Based Costing (ABC application to target costing process. So: -it analyzes target costing logic and phases, basing on a literary review, in order to highlight the costing needs related to this process; -it shows, through a numerical example, how to structure a flexible ABC model – characterized by the separation between variable, fixed in the short and fixed costs - that effectively supports target costing process in the cost measurement phase (drifting cost determination and in the target cost alignment; -it points out the effectiveness of the Activity Based Costing as a model of cost measurement applicable to the supplier choice and as a support for supply cost management which have an important role in target costing process. The activity based information allows a firm to optimize the supplier choice by following the method of minimizing the

  12. Spin Resonance Strength Calculations

    Science.gov (United States)

    Courant, E. D.

    2009-08-01

    In calculating the strengths of depolarizing resonances it may be convenient to reformulate the equations of spin motion in a coordinate system based on the actual trajectory of the particle, as introduced by Kondratenko, rather than the conventional one based on a reference orbit. It is shown that resonance strengths calculated by the conventional and the revised formalisms are identical. Resonances induced by radiofrequency dipoles or solenoids are also treated; with rf dipoles it is essential to consider not only the direct effect of the dipole but also the contribution from oscillations induced by it.

  13. Spin resonance strength calculations

    Energy Technology Data Exchange (ETDEWEB)

    Courant,E.D.

    2008-10-06

    In calculating the strengths of depolarizing resonances it may be convenient to reformulate the equations of spin motion in a coordinate system based on the actual trajectory of the particle, as introduced by Kondratenko, rather than the conventional one based on a reference orbit. It is shown that resonance strengths calculated by the conventional and the revised formalisms are identical. Resonances induced by radiofrequency dipoles or solenoids are also treated; with rf dipoles it is essential to consider not only the direct effect of the dipole but also the contribution from oscillations induced by it.

  14. Curvature calculations with GEOCALC

    Energy Technology Data Exchange (ETDEWEB)

    Moussiaux, A.; Tombal, P.

    1987-04-01

    A new method for calculating the curvature tensor has been recently proposed by D. Hestenes. This method is a particular application of geometric calculus, which has been implemented in an algebraic programming language on the form of a package called GEOCALC. They show how to apply this package to the Schwarzchild case and they discuss the different results.

  15. Haida Numbers and Calculation.

    Science.gov (United States)

    Cogo, Robert

    Experienced traders in furs, blankets, and other goods, the Haidas of the 1700's had a well-developed decimal system for counting and calculating. Their units of linear measure included the foot, yard, and fathom, or six feet. This booklet lists the numbers from 1 to 20 in English and Haida; explains the Haida use of ten, hundred, and thousand…

  16. Daylight calculations in practice

    DEFF Research Database (Denmark)

    Iversen, Anne; Roy, Nicolas; Hvass, Mette;

    programs can give different results. This can be due to restrictions in the program itself and/or be due to the skills of the persons setting up the models. This is crucial as daylight calculations are used to document that the demands and recommendations to daylight levels outlined by building authorities...

  17. Dynamics Calculation of Spoke

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    Compared with ellipse cavity, the spoke cavity has many advantages, especially for the low and medium beam energy. It will be used in the superconductor accelerator popular in the future. Based on the spoke cavity, we design and calculate an accelerator

  18. A revised calculational model for fission

    Energy Technology Data Exchange (ETDEWEB)

    Atchison, F.

    1998-09-01

    A semi-empirical parametrization has been developed to calculate the fission contribution to evaporative de-excitation of nuclei with a very wide range of charge, mass and excitation-energy and also the nuclear states of the scission products. The calculational model reproduces measured values (cross-sections, mass distributions, etc.) for a wide range of fissioning systems: Nuclei from Ta to Cf, interactions involving nucleons up to medium energy and light ions. (author)

  19. PROSPECTS OF MANAGEMENT ACCOUNTING AND COST CALCULATION

    Directory of Open Access Journals (Sweden)

    Marian ŢAICU

    2014-11-01

    Full Text Available Progress in improving production technology requires appropriate measures to achieve an efficient management of costs. This raises the need for continuous improvement of management accounting and cost calculation. Accounting information in general, and management accounting information in particular, have gained importance in the current economic conditions, which are characterized by risk and uncertainty. The future development of management accounting and cost calculation is essential to meet the information needs of management.

  20. Radioprotection calculations for MEGAPIE.

    Science.gov (United States)

    Zanini, L

    2005-01-01

    The MEGAwatt PIlot Experiment (MEGAPIE) liquid lead-bismuth spallation neutron source will commence operation in 2006 at the SINQ facility of the Paul Scherrer Institut. Such an innovative system presents radioprotection concerns peculiar to a liquid spallation target. Several radioprotection issues have been addressed and studied by means of the Monte Carlo transport code, FLUKA. The dose rates in the room above the target, where personnel access may be needed at times, from the activated lead-bismuth and from the volatile species produced were calculated. Results indicate that the dose rate level is of the order of 40 mSv h(-1) 2 h after shutdown, but it can be reduced below the mSv h(-1) level with slight modifications to the shielding. Neutron spectra and dose rates from neutron transport, of interest for possible damage to radiation sensitive components, have also been calculated.

  1. PIC: Protein Interactions Calculator.

    Science.gov (United States)

    Tina, K G; Bhadra, R; Srinivasan, N

    2007-07-01

    Interactions within a protein structure and interactions between proteins in an assembly are essential considerations in understanding molecular basis of stability and functions of proteins and their complexes. There are several weak and strong interactions that render stability to a protein structure or an assembly. Protein Interactions Calculator (PIC) is a server which, given the coordinate set of 3D structure of a protein or an assembly, computes various interactions such as disulphide bonds, interactions between hydrophobic residues, ionic interactions, hydrogen bonds, aromatic-aromatic interactions, aromatic-sulphur interactions and cation-pi interactions within a protein or between proteins in a complex. Interactions are calculated on the basis of standard, published criteria. The identified interactions between residues can be visualized using a RasMol and Jmol interface. The advantage with PIC server is the easy availability of inter-residue interaction calculations in a single site. It also determines the accessible surface area and residue-depth, which is the distance of a residue from the surface of the protein. User can also recognize specific kind of interactions, such as apolar-apolar residue interactions or ionic interactions, that are formed between buried or exposed residues or near the surface or deep inside.

  2. Biogas - the calculable energy

    Science.gov (United States)

    Kith, Károly; Nagy, Orsolya; Balla, Zoltán; Tamás, András

    2015-04-01

    EU actions against climate change are rising energy prices, both have emphasized the use of renewable energy,increase investments and energy efficiency. A number of objectives formulated in the EC decree no. 29/2009 by 2020. This document is based on the share of renewable energies in energy consumption should be increased to 20% (EC, 2009). The EU average is 20% but the share of renewables vary from one member state to another. In Hungary in 2020, 14.65% renewable energy share is planned to be achieved. According to the latest Eurostat data, the share of renewable energy in energy consumption of the EU average was 14.1%, while in Hungary, this share was 9.6% in 2012. (EUROSTAT, 2014). The use of renewable energy plant level is influenced by several factors. The most important of these is the cost savings and efficiency gains. Hungarian investments in renewable energy production usually have high associated costs and the payback period is substantially more than five years, depending on the support rate. For example, the payback period is also influenced by the green electricity generated feed prices, which is one of the lowest in Hungary compared the Member States of the European Union. Consequently, it is important to increase the production of green energy. Nowadays, predictable biogas energy is an outstanding type of decentralized energy production. It follows directly that agricultural by-products can be used to produce energy and they also create jobs by the construction of a biogas plant. It is important to dispose of and destroy hazardous and noxious substances in energy production. It follows from this that the construction of biogas plants have a positive impact, in addition to green energy which is prepared to reduce the load on the environment. The production of biogas and green electricity is one of the most environment friendly forms of energy production. Biogas production also has other important ecological effects, such as the substitution of

  3. Calculations in furnace technology

    CERN Document Server

    Davies, Clive; Hopkins, DW; Owen, WS

    2013-01-01

    Calculations in Furnace Technology presents the theoretical and practical aspects of furnace technology. This book provides information pertinent to the development, application, and efficiency of furnace technology. Organized into eight chapters, this book begins with an overview of the exothermic reactions that occur when carbon, hydrogen, and sulfur are burned to release the energy available in the fuel. This text then evaluates the efficiencies to measure the quantity of fuel used, of flue gases leaving the plant, of air entering, and the heat lost to the surroundings. Other chapters consi

  4. Acute calculous cholecystitis

    OpenAIRE

    Angarita, Fernando A.; University Health Network; Acuña, Sergio A.; Mount Sinai Hospital; Jimenez, Carolina; University of Toronto; Garay, Javier; Pontificia Universidad Javeriana; Gömez, David; University of Toronto; Domínguez, Luis Carlos; Pontificia Universidad Javeriana

    2010-01-01

    Acute calculous cholecystitis is the most important cause of cholecystectomies worldwide. We review the physiopathology of the inflammatory process in this organ secondary to biliary tract obstruction, as well as its clinical manifestations, workup, and the treatment it requires. La colecistitis calculosa aguda es la causa más importante de colecistectomías en el mundo. En esta revisión de tema se resume la fisiopatología del proceso inflamatorio de la vesículabiliar secundaria a la obstru...

  5. Zero Temperature Hope Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Rozsnyai, B F

    2002-07-26

    The primary purpose of the HOPE code is to calculate opacities over a wide temperature and density range. It can also produce equation of state (EOS) data. Since the experimental data at the high temperature region are scarce, comparisons of predictions with the ample zero temperature data provide a valuable physics check of the code. In this report we show a selected few examples across the periodic table. Below we give a brief general information about the physics of the HOPE code. The HOPE code is an ''average atom'' (AA) Dirac-Slater self-consistent code. The AA label in the case of finite temperature means that the one-electron levels are populated according to the Fermi statistics, at zero temperature it means that the ''aufbau'' principle works, i.e. no a priory electronic configuration is set, although it can be done. As such, it is a one-particle model (any Hartree-Fock model is a one particle model). The code is an ''ion-sphere'' model, meaning that the atom under investigation is neutral within the ion-sphere radius. Furthermore, the boundary conditions for the bound states are also set at the ion-sphere radius, which distinguishes the code from the INFERNO, OPAL and STA codes. Once the self-consistent AA state is obtained, the code proceeds to generate many-electron configurations and proceeds to calculate photoabsorption in the ''detailed configuration accounting'' (DCA) scheme. However, this last feature is meaningless at zero temperature. There is one important feature in the HOPE code which should be noted; any self-consistent model is self-consistent in the space of the occupied orbitals. The unoccupied orbitals, where electrons are lifted via photoexcitation, are unphysical. The rigorous way to deal with that problem is to carry out complete self-consistent calculations both in the initial and final states connecting photoexcitations, an enormous computational task

  6. Linewidth calculations and simulations

    CERN Document Server

    Strandberg, Ingrid

    2016-01-01

    We are currently developing a new technique to further enhance the sensitivity of collinear laser spectroscopy in order to study the most exotic nuclides available at radioactive ion beam facilities, such as ISOLDE at CERN. The overall goal is to evaluate the feasibility of the new method. This report will focus on the determination of the expected linewidth (hence resolution) of this approach. Different effects which could lead to a broadening of the linewidth, e.g. the ions' energy spread and their trajectories inside the trap, are studied with theoretical calculations as well as simulations.

  7. Matlab numerical calculations

    CERN Document Server

    Lopez, Cesar

    2015-01-01

    MATLAB is a high-level language and environment for numerical computation, visualization, and programming. Using MATLAB, you can analyze data, develop algorithms, and create models and applications. The language, tools, and built-in math functions enable you to explore multiple approaches and reach a solution faster than with spreadsheets or traditional programming languages, such as C/C++ or Java. This book is designed for use as a scientific/business calculator so that you can get numerical solutions to problems involving a wide array of mathematics using MATLAB. Just look up the function y

  8. Air Blast Calculations

    Science.gov (United States)

    2013-07-01

    gauges at this point are still inside the explosive fireball (where the pressure time histories are dramatically influenced by the propagating...outside of the explosive fireball (since no evidence of an air-product interface is detected in any of the pressure time histories at this point

  9. Spreadsheet Based Scaling Calculations and Membrane Performance

    Energy Technology Data Exchange (ETDEWEB)

    Wolfe, T D; Bourcier, W L; Speth, T F

    2000-12-28

    Many membrane element manufacturers provide a computer program to aid buyers in the use of their elements. However, to date there are few examples of fully integrated public domain software available for calculating reverse osmosis and nanofiltration system performance. The Total Flux and Scaling Program (TFSP), written for Excel 97 and above, provides designers and operators new tools to predict membrane system performance, including scaling and fouling parameters, for a wide variety of membrane system configurations and feedwaters. The TFSP development was funded under EPA contract 9C-R193-NTSX. It is freely downloadable at www.reverseosmosis.com/download/TFSP.zip. TFSP includes detailed calculations of reverse osmosis and nanofiltration system performance. Of special significance, the program provides scaling calculations for mineral species not normally addressed in commercial programs, including aluminum, iron, and phosphate species. In addition, ASTM calculations for common species such as calcium sulfate (CaSO{sub 4}{times}2H{sub 2}O), BaSO{sub 4}, SrSO{sub 4}, SiO{sub 2}, and LSI are also provided. Scaling calculations in commercial membrane design programs are normally limited to the common minerals and typically follow basic ASTM methods, which are for the most part graphical approaches adapted to curves. In TFSP, the scaling calculations for the less common minerals use subsets of the USGS PHREEQE and WATEQ4F databases and use the same general calculational approach as PHREEQE and WATEQ4F. The activities of ion complexes are calculated iteratively. Complexes that are unlikely to form in significant concentration were eliminated to simplify the calculations. The calculation provides the distribution of ions and ion complexes that is used to calculate an effective ion product ''Q.'' The effective ion product is then compared to temperature adjusted solubility products (Ksp's) of solids in order to calculate a Saturation Index (SI

  10. Multilayer optical calculations

    CERN Document Server

    Byrnes, Steven J

    2016-01-01

    When light hits a multilayer planar stack, it is reflected, refracted, and absorbed in a way that can be derived from the Fresnel equations. The analysis is treated in many textbooks, and implemented in many software programs, but certain aspects of it are difficult to find explicitly and consistently worked out in the literature. Here, we derive the formulas underlying the transfer-matrix method of calculating the optical properties of these stacks, including oblique-angle incidence, absorption-vs-position profiles, and ellipsometry parameters. We discuss and explain some strange consequences of the formulas in the situation where the incident and/or final (semi-infinite) medium are absorptive, such as calculating $T>1$ in the absence of gain. We also discuss some implementation details like complex-plane branch cuts. Finally, we derive modified formulas for including one or more "incoherent" layers, i.e. very thick layers in which interference can be neglected. This document was written in conjunction with ...

  11. Calculating Speed of Sound

    Science.gov (United States)

    Bhatnagar, Shalabh

    2017-01-01

    Sound is an emerging source of renewable energy but it has some limitations. The main limitation is, the amount of energy that can be extracted from sound is very less and that is because of the velocity of the sound. The velocity of sound changes as per medium. If we could increase the velocity of the sound in a medium we would be probably able to extract more amount of energy from sound and will be able to transfer it at a higher rate. To increase the velocity of sound we should know the speed of sound. If we go by the theory of classic mechanics speed is the distance travelled by a particle divided by time whereas velocity is the displacement of particle divided by time. The speed of sound in dry air at 20 °C (68 °F) is considered to be 343.2 meters per second and it won't be wrong in saying that 342.2 meters is the velocity of sound not the speed as it's the displacement of the sound not the total distance sound wave covered. Sound travels in the form of mechanical wave, so while calculating the speed of sound the whole path of wave should be considered not just the distance traveled by sound. In this paper I would like to focus on calculating the actual speed of sound wave which can help us to extract more energy and make sound travel with faster velocity.

  12. Solubility of nuclear reaction and corrosion products in the mercury spallation target. Significance for the operation and methods of calculation; Loeslichkeit von Kernreaktions- und Korrosionsprodukten im Quecksilber-Spallationstarget. Bedeutung fuer das Betriebsverhalten und Moeglichkeiten der Kalkulation

    Energy Technology Data Exchange (ETDEWEB)

    Eichler, B.; Dressler, R.

    1999-05-01

    The solubility of the transmutants and construction materials can influence the corrosion of the target vessel and the circuit components. In addition the solubility has an influence on the formation of solid depositions on the surfaces as well as on the segregation of mobile solid particles. As a first step calculations of the partial molar enthalpies of mixing at in infinite dilution were performed using the Miedema-Model. The bonding energies of metallic elements with mercury are present as periodic function in dependence on the atomic number. In a second step an extension was performed with the introduction of the latent enthalpies and entropies of transformation and fusion of the metallic elements. In case of formation of amalgams the integral molar formation enthalpies of the mercury-richest intermetallic compounds were considered. The calculated partial molar enthalpies of solution are discussed in comparison with literature data. For metals which co-exist in pure state with the saturated solution in liquid mercury the solubilities were calculated in the temperature range between 400 - 550 K. (author)

  13. 40 CFR 98.283 - Calculating GHG emissions.

    Science.gov (United States)

    2010-07-01

    ... (CONTINUED) MANDATORY GREENHOUSE GAS REPORTING Silicon Carbide Production § 98.283 Calculating GHG emissions. You must calculate and report the annual process CO2 emissions from each silicon carbide process unit... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Calculating GHG emissions....

  14. 9 CFR 124.20 - Patent term extension calculation.

    Science.gov (United States)

    2010-01-01

    ... 9 Animals and Animal Products 1 2010-01-01 2010-01-01 false Patent term extension calculation. 124... OF AGRICULTURE VIRUSES, SERUMS, TOXINS, AND ANALOGOUS PRODUCTS; ORGANISMS AND VECTORS PATENT TERM RESTORATION Regulatory Review Period § 124.20 Patent term extension calculation. (a) As provided in 37 CFR...

  15. A Comparison Of New Calculations Of The Yearly 10Be Production In The Earths Polar Atmosphere By Cosmic Rays With Yearly 10Be Measurements In Multiple Greenland Ice Cores Between 1939 And 1994 - A Troubling Lack Of Concordance Paper #2

    CERN Document Server

    Webber, W R; Webber, C W

    2010-01-01

    We have compared the yearly production rates of 10Be by cosmic rays in the Earths polar atmosphere over the last 50-70 years with 10Be measurements from two separate ice cores in Greenland. These ice cores provide measurements of the annual 10Be concentration and 10Be flux levels during this time. The scatter in the ice core yearly data vs. the production data is larger than the average solar 11 year production variations that are being measured. The cross correlation coefficients between the yearly 10Be production and the ice core 10Be measurements for this time period are <0.4 in all comparisons between ice core data and 10Be production, including 10Be concentrations, 10Be fluxes and in comparing the two separate ice core measurements. In fact, the cross correlation between the two ice core measurements, which should be measuring the same source, is the lowest of all, only ~0.2. These values for the correlation coefficient are all indicative of a "poor" correlation. The regression line slopes for the bes...

  16. Calculation of Thermochemical Constants of Propellants

    Directory of Open Access Journals (Sweden)

    K. P. Rao

    1979-01-01

    Full Text Available A method for calculation of thermo chemical constants and products of explosion of propellants from the knowledge of molecular formulae and heats of formation of the ingredients is given. A computer programme in AUTOMATH-400 has been established for the method. The results of application of the method for a number of propellants are given.

  17. Tubular stabilizer bars – calculations and construction

    Directory of Open Access Journals (Sweden)

    Adam-Markus WITTEK

    2011-01-01

    Full Text Available The article outlines the calculation methods for tubular stabilizer bars. Modern technological and structural solutions in contemporary cars are reflected also in the construction, selection and manufacturing of tubular stabilizer bars. A proper construction and the selection of parameters influence the strength properties, the weight, durability and reliability as well as the selection of an appropriate production method.

  18. Stabilizer bars: Part 1. Calculations and construction

    Directory of Open Access Journals (Sweden)

    Adam-Markus WITTEK

    2010-01-01

    Full Text Available The article outlines the calculation methods for stabilizer bars. Modern technological and structural solutions in contemporary cars are reflected also in the construction and manufacturing of stabilizer bars. A proper construction and the selection of parameters influence the strength properties, the weight, durability and reliability as well as the selection of an appropriate production method.

  19. Molecular Dynamics Calculations

    Science.gov (United States)

    1996-01-01

    The development of thermodynamics and statistical mechanics is very important in the history of physics, and it underlines the difficulty in dealing with systems involving many bodies, even if those bodies are identical. Macroscopic systems of atoms typically contain so many particles that it would be virtually impossible to follow the behavior of all of the particles involved. Therefore, the behavior of a complete system can only be described or predicted in statistical ways. Under a grant to the NASA Lewis Research Center, scientists at the Case Western Reserve University have been examining the use of modern computing techniques that may be able to investigate and find the behavior of complete systems that have a large number of particles by tracking each particle individually. This is the study of molecular dynamics. In contrast to Monte Carlo techniques, which incorporate uncertainty from the outset, molecular dynamics calculations are fully deterministic. Although it is still impossible to track, even on high-speed computers, each particle in a system of a trillion trillion particles, it has been found that such systems can be well simulated by calculating the trajectories of a few thousand particles. Modern computers and efficient computing strategies have been used to calculate the behavior of a few physical systems and are now being employed to study important problems such as supersonic flows in the laboratory and in space. In particular, an animated video (available in mpeg format--4.4 MB) was produced by Dr. M.J. Woo, now a National Research Council fellow at Lewis, and the G-VIS laboratory at Lewis. This video shows the behavior of supersonic shocks produced by pistons in enclosed cylinders by following exactly the behavior of thousands of particles. The major assumptions made were that the particles involved were hard spheres and that all collisions with the walls and with other particles were fully elastic. The animated video was voted one of two

  20. Impact cratering calculations

    Science.gov (United States)

    Ahrens, Thomas J.; Okeefe, J. D.; Smither, C.; Takata, T.

    1991-01-01

    In the course of carrying out finite difference calculations, it was discovered that for large craters, a previously unrecognized type of crater (diameter) growth occurred which was called lip wave propagation. This type of growth is illustrated for an impact of a 1000 km (2a) silicate bolide at 12 km/sec (U) onto a silicate half-space at earth gravity (1 g). The von Misses crustal strength is 2.4 kbar. The motion at the crater lip associated with this wave type phenomena is up, outward, and then down, similar to the particle motion of a surface wave. It is shown that the crater diameter has grown d/a of approximately 25 to d/a of approximately 4 via lip propagation from Ut/a = 5.56 to 17.0 during the time when rebound occurs. A new code is being used to study partitioning of energy and momentum and cratering efficiency with self gravity for finite-sized objects rather than the previously discussed planetary half-space problems. These are important and fundamental subjects which can be addressed with smoothed particle hydrodynamic (SPH) codes. The SPH method was used to model various problems in astrophysics and planetary physics. The initial work demonstrates that the energy budget for normal and oblique impacts are distinctly different than earlier calculations for silicate projectile impact on a silicate half space. Motivated by the first striking radar images of Venus obtained by Magellan, the effect of the atmosphere on impact cratering was studied. In order the further quantify the processes of meteor break-up and trajectory scattering upon break-up, the reentry physics of meteors striking Venus' atmosphere versus that of the Earth were studied.

  1. Role of signal peptides in targeting of proteins in cyanobacteria.

    OpenAIRE

    Mackle, M M; Zilinskas, B A

    1994-01-01

    Proteins of cyanobacteria may be transported across one of two membrane systems: the typical eubacterial cell envelope (consisting of an inner membrane, periplasmic space, and an outer membrane) and the photosynthetic thylakoids. To investigate the role of signal peptides in targeting in cyanobacteria, Synechococcus sp. strain PCC 7942 was transformed with vectors carrying the chloramphenicol acetyltransferase reporter gene fused to coding sequences for one of four different signal peptides. ...

  2. MBPT calculations with ABINIT

    Science.gov (United States)

    Giantomassi, Matteo; Huhs, Georg; Waroquiers, David; Gonze, Xavier

    2014-03-01

    Many-Body Perturbation Theory (MBPT) defines a rigorous framework for the description of excited-state properties based on the Green's function formalism. Within MBPT, one can calculate charged excitations using e.g. Hedin's GW approximation for the electron self-energy. In the same framework, neutral excitations are also well described through the solution of the Bethe-Salpeter equation (BSE). In this talk, we report on the recent developments concerning the parallelization of the MBPT algorithms available in the ABINIT code (www.abinit.org). In particular, we discuss how to improve the parallel efficiency thanks to a hybrid version that employs MPI for the coarse-grained parallelization and OpenMP (a de facto standard for parallel programming on shared memory architectures) for the fine-grained parallelization of the most CPU-intensive parts. Benchmark results obtained with the new implementation are discussed. Finally, we present results for the GW corrections of amorphous SiO2 in the presence of defects and the BSE absorption spectrum. This work has been supported by the Prace project (PaRtnership for Advanced Computing in Europe, http://www.prace-ri.eu).

  3. Calculating proper transfer prices

    Energy Technology Data Exchange (ETDEWEB)

    Dorkey, F.C. (Meliora Research Associates, Rochester, NY (United States)); Jarrell, G.A. (Univ. of Rochester, NY (United States))

    1991-01-01

    This article deals with developing a proper transfer pricing method. Decentralization is as American as baseball. While managers laud the widespread benefits of both decentralization and baseball, they often greet the term transfer price policy with a yawn. Since transfer prices are as critical to the success of decentralized firms as good pitchers are to baseball teams, this is quite a mistake on the part of our managers. A transfer price is the price charged to one division for a product or service that another division produced or provided. In many, perhaps most, decentralized organizations, the transfer pricing policies actually used are grossly inefficient and sacrifice the potential advantages of decentralization. Experience shows that far too many companies have transfer pricing policies that cost them significantly in foregone growth and profits.

  4. The rating reliability calculator

    Directory of Open Access Journals (Sweden)

    Solomon David J

    2004-04-01

    Full Text Available Abstract Background Rating scales form an important means of gathering evaluation data. Since important decisions are often based on these evaluations, determining the reliability of rating data can be critical. Most commonly used methods of estimating reliability require a complete set of ratings i.e. every subject being rated must be rated by each judge. Over fifty years ago Ebel described an algorithm for estimating the reliability of ratings based on incomplete data. While his article has been widely cited over the years, software based on the algorithm is not readily available. This paper describes an easy-to-use Web-based utility for estimating the reliability of ratings based on incomplete data using Ebel's algorithm. Methods The program is available public use on our server and the source code is freely available under GNU General Public License. The utility is written in PHP, a common open source imbedded scripting language. The rating data can be entered in a convenient format on the user's personal computer that the program will upload to the server for calculating the reliability and other statistics describing the ratings. Results When the program is run it displays the reliability, number of subject rated, harmonic mean number of judges rating each subject, the mean and standard deviation of the averaged ratings per subject. The program also displays the mean, standard deviation and number of ratings for each subject rated. Additionally the program will estimate the reliability of an average of a number of ratings for each subject via the Spearman-Brown prophecy formula. Conclusion This simple web-based program provides a convenient means of estimating the reliability of rating data without the need to conduct special studies in order to provide complete rating data. I would welcome other researchers revising and enhancing the program.

  5. Vertical profile of the specific surface area and density of the snow at Dome C and on a transect to Dumont D'Urville, Antarctica – albedo calculations and comparison to remote sensing products

    Directory of Open Access Journals (Sweden)

    J.-C. Gallet

    2011-08-01

    Full Text Available The specific surface area (SSA of snow determines in part the albedo of snow surfaces and the capacity of the snow to adsorb chemical species and catalyze reactions. Despite these crucial roles, almost no value of snow SSA are available for the largest permanent snow expanse on Earth, the Antarctic. We report the first extensive study of vertical profiles of snow SSA near Dome C (DC: 75°06' S, 123°20' E, 3233 m a.s.l. on the Antarctic plateau, and at seven sites during the logistical traverse between Dome C and the French coastal base Dumont D'Urville (DDU: 66°40' S, 140°01' E during the Austral summer 2008–2009. We used the DUFISSS system, which measures the IR reflectance of snow at 1310 nm with an integrating sphere. At DC, the mean SSA of the snow in the top 1 cm is 38 m2 kg−1, decreasing monotonically to 14 m2 kg−1 at a depth of 50 cm. Along the traverse, the snow SSA profile is similar to that at DC in the first 600 km from DC. Closer to DDU, the SSA of the top 5 cm is 23 m2 kg−1, decreasing to 19 m2 kg−1 at 50 cm depth. This difference is attributed to wind, which causes a rapid decrease of surface snow SSA, but forms hard windpacks whose SSA decrease more slowly with time. Since light-absorbing impurities are not concentrated enough to affect albedo, the vertical profiles of SSA and density were used to calculate the spectral albedo of the snow for several realistic illumination conditions, using the DISORT radiative transfer model. A preliminary comparison with MODIS data is presented and our calculations and MODIS data show similar trends.

  6. 基于综合生产能力核算的河北省耕地重点保护区划定%Division of key cultivated land regions based on calculation of comprehensive productivity in Hebei province

    Institute of Scientific and Technical Information of China (English)

    门明新; 张俊梅; 刘玉; 李新旺; 许皞

    2009-01-01

    The essential of protecting the cultivated land was to protect the comprehensive production capacity. It was the fundamental measure for ensuring resources security and sustaining productivity stability of the cultivated land to divide the cultivated land into different ranks according to the production capacity. The theoretical production capacity of cultivated land was obtained from the linear regression model which was established with the relationship of the natural quality ranks and the standard crop yield per unit from theoretical sampling investigation data on the basis of agricultural land classification. And the practical production capacity of cultivated land was obtained from the linear regression model established with the relationship of the land use quality ranks and the standard crop yield per unit from practical sampling investigation data. Then the scale advantage index and the aggregated advantage index of cultivated land were put forward to analyze the spatial distribution pattern of comprehensive productivity. Combing with the future potential productivity, current productivity and the input and output status, cultivated land in Hebei province was divided into four protective classes. The first class was the state-level protection region. The area was 2.02×10~6 hm~2 which accounted for 32.1% of the total area. The second class was the provincial-level protection region and the area was 2.98×10~6 hm~2. The third-level protection region was the municipal-level protection region which accounted for 30.1% of the total cultivated land in Hebei province. The rest was classified as the fourth-level which accounted for 9.7% of the total area. By the division of protected regions and definition of the protective duties of different subjects, it was of great realistic meanings to stabilize agricultural production and to ensure food security.%耕地保护的实质是要保护耕地的综合生产能力,按耕地生产能力重新划定耕地的保护

  7. Reaction Dynamics of O((3)P) + Propyne: II. Primary Products, Branching Ratios, and Role of Intersystem Crossing from Ab Initio Coupled Triplet/Singlet Potential Energy Surfaces and Statistical Calculations.

    Science.gov (United States)

    Gimondi, Ilaria; Cavallotti, Carlo; Vanuzzo, Gianmarco; Balucani, Nadia; Casavecchia, Piergiorgio

    2016-07-14

    The mechanism of the O((3)P) + CH3CCH reaction was investigated using a combined experimental/theoretical approach. Experimentally the reaction dynamics was studied using crossed molecular beams (CMB) with mass-spectrometric detection and time-of-flight analysis at 9.2 kcal/mol collision energy. Theoretically master equation (ME) simulations were performed on a potential energy surface (PES) determined using high-level ab initio electronic structure calculations. In this paper (II) the theoretical results are described and compared with experiments, while in paper (I) are reported and discussed the results of the experimental study. The PES was investigated by determining structures and vibrational frequencies of wells and transition states at the CASPT2/aug-cc-pVTZ level using a minimal active space. Energies were then determined at the CASPT2 level increasing systematically the active space and at the CCSD(T) level extrapolating to the complete basis set limit. Two separate portions of the triplet PES were investigated, as O((3)P) can add either on the terminal or the central carbon of the unsaturated propyne bond. Minimum energy crossing points (MECPs) between the triplet and singlet PESs were searched at the CASPT2 level. The calculated spin-orbit coupling constants between the T1 and S0 electronic surfaces were ∼25 cm(-1) for both PESs. The portions of the singlet PES that can be accessed from the MECPs were investigated at the same level of theory. The system reactivity was predicted integrating stochastically the one-dimensional ME using Rice-Ramsperger-Kassel-Marcus theory to determine rate constants on the full T1/S0 PESs, accounting explicitly for intersystem crossing (ISC) using the Landau-Zener model. The computational results are compared both with the branching ratios (BRs) determined experimentally in the companion paper (I) and with those estimated in a recent kinetic study at 298 K. The ME results allow to interpret the main system reactivity: CH

  8. 基于MCNP和ORIGEN2耦合程序的IHNI-1型堆裂变产物中毒及燃耗分析%The fission product poisoning and burnup calculation for IHNI-1 reactor based on coupled code of MCNP-ORIGEN2

    Institute of Scientific and Technical Information of China (English)

    张信一; 赵柱民; 江新标; 郭和伟; 陈立新; 周永茂

    2012-01-01

    To calculate the fission product poisoning and bumup of the reactor accurately, the paper sets up the coupled calculation methods based on MCNP code and ORIGEN2 code and program data translation, cross section revision and date interface codes. Making use of elaborate reactor model to calculate the fission product poisoning and bumup for in-hospital neutron irradiator mark 1 reactor.%为了准确地计算反应堆的裂变产物中毒和燃耗问题,开发了一套蒙特卡罗方法程序系统.利用通用的燃耗计算方法,基于MCNP和ORIGEN2,编写了相关的数据转换、截面修正、数据接口程序,实现了MCNP和ORIGEN2程序的耦合.采用堆芯精细结构划分,对医院中子照射器Ⅰ型堆裂变产物中毒和燃耗进行了计算分析.

  9. Cosmological Calculations on the GPU

    CERN Document Server

    Bard, Deborah; Allen, Mark T; Yepremyan, Hasmik; Kratochvil, Jan M

    2012-01-01

    Cosmological measurements require the calculation of nontrivial quantities over large datasets. The next generation of survey telescopes (such as DES, PanSTARRS, and LSST) will yield measurements of billions of galaxies. The scale of these datasets, and the nature of the calculations involved, make cosmological calculations ideal models for implementation on graphics processing units (GPUs). We consider two cosmological calculations, the two-point angular correlation function and the aperture mass statistic, and aim to improve the calculation time by constructing code for calculating them on the GPU. Using CUDA, we implement the two algorithms on the GPU and compare the calculation speeds to comparable code run on the CPU. We obtain a code speed-up of between 10 - 180x faster, compared to performing the same calculation on the CPU. The code has been made publicly available.

  10. New Arsenic Cross Section Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Kawano, Toshihiko [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-03-04

    This report presents calculations for the new arsenic cross section. Cross sections for 73,74,75 As above the resonance range were calculated with a newly developed Hauser-Feshbach code, CoH3.

  11. Cost calculation in agricultural enterprises in theory and practice

    Directory of Open Access Journals (Sweden)

    Wojciech Ziętara

    2009-01-01

    Full Text Available The article is dedicated to evolution of the production costs calculation theory in agriculture from the second half of XVIII century till present times. The author emphasized long lasting dispute among the economists about usefulness of the full account of unit costs of production in evaluation of production profitability. Moreover, utility of the part-costs account in evaluation of production competitiveness, as well as their value in evaluation of the production processes and structure (using optimisation methods was analysed. Additionally article describes current problems of cost calculation in agriculture.

  12. RTU Comparison Calculator Enhancement Plan

    Energy Technology Data Exchange (ETDEWEB)

    Miller, James D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Wang, Weimin [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Katipamula, Srinivas [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2015-07-01

    Over the past two years, Department of Energy’s Building Technologies Office (BTO) has been investigating ways to increase the operating efficiency of the packaged rooftop units (RTUs) in the field. First, by issuing a challenge to the RTU manufactures to increase the integrated energy efficiency ratio (IEER) by 60% over the existing ASHRAE 90.1-2010 standard. Second, by evaluating the performance of an advanced RTU controller that reduces the energy consumption by over 40%. BTO has previously also funded development of a RTU comparison calculator (RTUCC). RTUCC is a web-based tool that provides the user a way to compare energy and cost savings for two units with different efficiencies. However, the RTUCC currently cannot compare savings associated with either the RTU Challenge unit or the advanced RTU controls retrofit. Therefore, BTO has asked PNNL to enhance the tool so building owners can compare energy and savings associated with this new class of products. This document provides the details of the enhancements that are required to support estimating energy savings from use of RTU challenge units or advanced controls on existing RTUs.

  13. RTU Comparison Calculator Enhancement Plan

    Energy Technology Data Exchange (ETDEWEB)

    Miller, James D.; Wang, Weimin; Katipamula, Srinivas

    2014-03-31

    Over the past two years, Department of Energy’s Building Technologies Office (BTO) has been investigating ways to increase the operating efficiency of the packaged rooftop units (RTUs) in the field. First, by issuing a challenge to the RTU manufactures to increase the integrated energy efficiency ratio (IEER) by 60% over the existing ASHRAE 90.1-2010 standard. Second, by evaluating the performance of an advanced RTU controller that reduces the energy consumption by over 40%. BTO has previously also funded development of a RTU comparison calculator (RTUCC). RTUCC is a web-based tool that provides the user a way to compare energy and cost savings for two units with different efficiencies. However, the RTUCC currently cannot compare savings associated with either the RTU Challenge unit or the advanced RTU controls retrofit. Therefore, BTO has asked PNNL to enhance the tool so building owners can compare energy and savings associated with this new class of products. This document provides the details of the enhancements that are required to support estimating energy savings from use of RTU challenge units or advanced controls on existing RTUs.

  14. Optimization of the parameter calculation the process of production historic by using Parallel Virtual Machine-PVM; Otimizacao do calculo de parametros no processo de ajuste de historicos de producao usando PVM

    Energy Technology Data Exchange (ETDEWEB)

    Vargas Cuervo, Carlos Hernan

    1997-03-01

    The main objective of this work is to develop a methodology to optimize the simultaneous computation of two parameters in the process of production history matching. This work describes a procedure to minimize an objective function established to find the values of the parameters which are modified in the process. The parameters are chosen after a sensibility analysis. Two optimization methods are tested: a Region Search Method (MBR) and Polytope Method. Both are based in direct search methods which do not require the function derivative. The software PVM (Parallel Virtual Machine) is used to parallelize the simulation runs, allowing the acceleration of the process and the search of multiple solutions. The validation of the methodology is applied to two reservoir models: one homogeneous and other heterogeneous. The advantages of each method and of the parallelization are also present. (author)

  15. Aspectos más importantes sobre la metódica para el cálculo y fundamentación económica de las variantes de fabricación de maquinas cosechadoras. // Important aspects on the methodical of calculation and economic foundation of production variants of cropper

    Directory of Open Access Journals (Sweden)

    M. N. Navarro Ojeda

    2001-10-01

    Full Text Available Esta metódica permite la determinación de los máximos costos permisibles de fabricación evaluando diferentes variantes defiabilidad de las piezas en la nueva máquina o subconjunto objeto de estudio o desarrollo. Tiene como base el modelo Ihle-Rößner para la evaluación del comportamiento del desgaste en las piezas y cálculo de los índices de consumo de losrepuestos, atendiendo a determinados parámetros de fiabilidad. Posteriormente se procede al cálculo de las diferentesvariantes de fabricación: determinación de los costos permisibles de fabricación, estableciendo para ello que los costosespecíficos para la pieza, subconjunto o máquina proyectada deben ser igual o menores a los costos del artículo precedentePalabras claves: Costos, costos permisibles de fabricación, evaluación del desgaste, cálculo de índices deconsumo de repuestos._____________________________________________________________________Abstract.This Methodical one allows the determination of the maximum permissible costs of production evaluating different variantsof reliability of the pieces in the new machine or subset study object or development. She/he has like base the pattern Ihle-Rößner for the evaluation of the behavior of the waste in the pieces and calculation of the indexes of consumption of thereserves, assisting to certain parameters of reliability. Later on you proceeds to the calculation of the different variants ofproduction: determination of the permissible costs of production, settling down for it that the specific costs for the piece,subset or projected machine should be same or smaller at the costs of the precedent articleKey words. Costs, permissible costs of production, evaluation of waste, calculation of indexes consumption ofreserves.

  16. A New Way to Calculate the Critical Pressure Gradient of Sand Production%计算砂岩出砂临界压力梯度的新方法

    Institute of Scientific and Technical Information of China (English)

    聂向荣; 杨胜来; 丁景辰; 李芳芳; 章星

    2013-01-01

    A capillary-tube model is proposed which could transform the porous medium solid liquid coupling problems to duct flow problems,and the dynamic mechanism of sand production is studied according to the fluid mechanics as well as skin effect considered.The critical pressure gradient formula is as a quantifying characterization for the sand production.Based on sensitivity analysis,the critical pressure gradient rises with its thickness increasing.With the sand particle radius increasing,the critical pressure gradient also rises.In order to validate the effectiveness of the formula,a physical simulation experiment is designed.The formulae has a good agreement with experimental,and the average error is only 16%.%将毛管束模型引入到出砂问题的研究中,同时考虑了表皮效应,建立了出砂毛管束物理模型,该模型能够将复杂的多孔介质固液耦合问题转化为宏观的管流流动问题,通过分析砂岩颗粒在毛管束中的受力和运动,建立了砂岩出砂数学模型,分析了出砂过程动态机理,推导了出砂临界压力梯度公式,该公式从理论上对出砂问题进行了定量表征.敏感性分析表明:随着表皮厚度的增大,临界压力梯度增大;随着砂粒半径的增大,临界压力梯度也随之增大.为了验证公式的有效性,设计了砂岩出砂物理模拟实验,结果表明平均误差为16%,和实验符合较好.

  17. Automation of 2-loop Amplitude Calculations

    CERN Document Server

    Jones, S P

    2016-01-01

    Some of the tools and techniques that have recently been used to compute Higgs boson pair production at NLO in QCD are discussed. The calculation relies on the use of integral reduction, to reduce the number of integrals which must be computed, and expressing the amplitude in terms of a quasi-finite basis, which simplifies their numeric evaluation. Emphasis is placed on sector decomposition and Quasi-Monte Carlo (QMC) integration which are used to numerically compute the master integrals.

  18. Global nuclear-structure calculations

    Energy Technology Data Exchange (ETDEWEB)

    Moeller, P.; Nix, J.R.

    1990-04-20

    The revival of interest in nuclear ground-state octupole deformations that occurred in the 1980's was stimulated by observations in 1980 of particularly large deviations between calculated and experimental masses in the Ra region, in a global calculation of nuclear ground-state masses. By minimizing the total potential energy with respect to octupole shape degrees of freedom in addition to {epsilon}{sub 2} and {epsilon}{sub 4} used originally, a vastly improved agreement between calculated and experimental masses was obtained. To study the global behavior and interrelationships between other nuclear properties, we calculate nuclear ground-state masses, spins, pairing gaps and {Beta}-decay and half-lives and compare the results to experimental qualities. The calculations are based on the macroscopic-microscopic approach, with the microscopic contributions calculated in a folded-Yukawa single-particle potential.

  19. REVIEW OF METHODOLOGIES FOR COSTS CALCULATING OF RUMINANTS IN SLOVAKIA

    Directory of Open Access Journals (Sweden)

    Zuzana KRUPOVÁ

    2012-09-01

    Full Text Available The objective of this work was to synthesise and analyse the methodologies and the biological aspects of the costs calculation in ruminants in Slovakia. According to literature, the account classification of cost items is most often considered for construction of costing formula. The costs are mostly divided into fixed (costs independent from volume of herd’s production and variable ones (costs connected with improvement of breeding conditions. Cost for feeds and beddings, labour costs, other direct costs and depreciations were found as the most important cost items in ruminants. It can be assumed that including the depreciations into costs of the basic herd takes into consideration the real costs simultaneously invested into raising of young animals in the given period. Costs are calculated for the unit of the main and by-products and their classification is influenced mainly by the type of livestock and production system. In dairy cows is usually milk defined as the main product, and by- products are live born calf and manure. The base calculation unit is kilogram of milk (basic herd of cows and kilogram of gain and kilogram of live weight (young breeding cattle. In suckler cows is a live-born calf the main product and manure is the by-product. The costs are mostly calculated per suckler cow, live-born calf and per kilogram of live weight of weaned calf. Similar division of products into main and by-products is also in cost calculation for sheep categories. The difference is that clotted cheese is also considered as the main product of basic herd in dairy sheep and greasy wool as the by-products in all categories. Definition of the base calculation units in sheep categories followed the mentioned classification. The value of a by-product in cattle and sheep is usually set according to its quantity and intra- plant price of the by-product. In the calculation of the costs for sheep and cattle the “structural ewe” and “structural cow

  20. CALCULATION OF LASER CUTTING COSTS

    Directory of Open Access Journals (Sweden)

    Bogdan Nedic

    2016-09-01

    Full Text Available The paper presents description methods of metal cutting and calculation of treatment costs based on model that is developed on Faculty of mechanical engineering in Kragujevac. Based on systematization and analysis of large number of calculation models of cutting with unconventional methods, mathematical model is derived, which is used for creating a software for calculation costs of metal cutting. Software solution enables resolving the problem of calculating the cost of laser cutting, comparison' of costs made by other unconventional methods and provides documentation that consists of reports on estimated costs.

  1. Real Significance and Calculation Method for Reasonably Deciding Production Resettlement Population of Water Conservancy Project%合理确定水利工程移民生产安置人口的现实意义及计算方法

    Institute of Scientific and Technical Information of China (English)

    兰朝臣; 曲洪雷

    2012-01-01

    生产安置规划作为水利工程移民安置规划的灵魂与主线,关系到移民安置后的经济收入来源,关系到移民的生产、生活,关系到移民的经济恢复与发展,更关系到社会稳定大局。因此,合理的生产安置人口确定是做好生产安置规划的重要内容,介绍了水利工程移民安置规划中常用的生产安置人口计算方法。%Planning of production resettlement,as the soul and main tread of water conservancy project resettlement planning,is relevant to economic income source after resettlement,economic rehabilitation and development of the resettlement and the whole situation on social stability.Therefore,reasonable decision on production resettlement population is an important task for properly carrying out the production resettlement planning and a common calculation method applied for production resettlement population in water conservancy project resettlement planning is introduced in the study.

  2. Study on the Method of Minifying Free Energy and Solubility Product for the Calculation of the Equilibrium of Salt-water System%盐-水体系溶解平衡计算的自由能最小化及溶度积方法

    Institute of Scientific and Technical Information of China (English)

    宋彭生; 黄雪莉

    2007-01-01

      According to the basic physic-chemical principal of electrolyte solution and Pitzer Ion Interaction Approach, study on the calculation of the equilibrium of salt-water system was carried out by calculating the activity coefficient of electrolyte solution and osmotic coefficient of water. The research showed:the method of minifying free energy was effective for the calculation of the equilibrium of salt-water system, its result was accord with that of method of solubility product.%  根据电解质溶液的基本物理化学原理和近代电解质溶液理论的Pitzer离子相互作用模型,通过计算浓电解质溶液的活度系数和水的活度,研究了盐-水体系溶解平衡的计算方法。结果表明,体系Gibbs自由能最小化方法是计算盐-水体系溶解平衡的一种有效方法,其计算结果与溶度积法一致。

  3. Study on methods of calculating resistance of flue gas from cement production line into dual-pressure waste heat recovery power generation system%水泥线双压余热发电系统烟风阻力计算方法研究

    Institute of Scientific and Technical Information of China (English)

    王为术; 贺慧宁; 董英斌; 张红生; 刘军

    2011-01-01

    The dual-pressure waste heat recovery power generation system efficiently recovers low-temperatured waste heat from cement production lines. In order to accurately calculate the pressure of flue gas from cement production lines into the waste heat recovery power generation system, three resistance mathematical models are deduced based on the momentum law and the energy conservation law, which are cooling resistance in clinker layers, resistance of flue gas flowing from boilers into pipeline as well as resistance in boiler tubes. In addition, visual software of calculating resistance of flue gas is developed based on C++ Builder.%水泥线双压余热发电系统可高效回收水泥线低温余热,为准确计算水泥线余热发电系统的烟风阻力,基于动量定律和能量守恒定律,推导建立了熟料料层冷却阻力、锅炉引入管道阻力、锅炉管束阻力等阻力计算模型,并基于C++Builder开发了水泥线余热发电系统烟风阻力可视化计算软件.

  4. Toward a nitrogen footprint calculator for Tanzania

    Science.gov (United States)

    Hutton, Mary Olivia; Leach, Allison M.; Leip, Adrian; Galloway, James N.; Bekunda, Mateete; Sullivan, Clare; Lesschen, Jan Peter

    2017-03-01

    We present the first nitrogen footprint model for a developing country: Tanzania. Nitrogen (N) is a crucial element for agriculture and human nutrition, but in excess it can cause serious environmental damage. The Sub-Saharan African nation of Tanzania faces a two-sided nitrogen problem: while there is not enough soil nitrogen to produce adequate food, excess nitrogen that escapes into the environment causes a cascade of ecological and human health problems. To identify, quantify, and contribute to solving these problems, this paper presents a nitrogen footprint tool for Tanzania. This nitrogen footprint tool is a concept originally designed for the United States of America (USA) and other developed countries. It uses personal resource consumption data to calculate a per-capita nitrogen footprint. The Tanzania N footprint tool is a version adapted to reflect the low-input, integrated agricultural system of Tanzania. This is reflected by calculating two sets of virtual N factors to describe N losses during food production: one for fertilized farms and one for unfertilized farms. Soil mining factors are also calculated for the first time to address the amount of N removed from the soil to produce food. The average per-capita nitrogen footprint of Tanzania is 10 kg N yr‑1. 88% of this footprint is due to food consumption and production, while only 12% of the footprint is due to energy use. Although 91% of farms in Tanzania are unfertilized, the large contribution of fertilized farms to N losses causes unfertilized farms to make up just 83% of the food production N footprint. In a developing country like Tanzania, the main audiences for the N footprint tool are community leaders, planners, and developers who can impact decision-making and use the calculator to plan positive changes for nitrogen sustainability in the developing world.

  5. COSTS CALCULATION OF TARGET COSTING METHOD

    Directory of Open Access Journals (Sweden)

    Sebastian UNGUREANU

    2014-06-01

    Full Text Available Cost information system plays an important role in every organization in the decision making process. An important task of management is ensuring control of the operations, processes, sectors, and not ultimately on costs. Although in achieving the objectives of an organization compete more control systems (production control, quality control, etc., the cost information system is important because monitors results of the other. Detailed analysis of costs, production cost calculation, quantification of losses, estimate the work efficiency provides a solid basis for financial control. Knowledge of the costs is a decisive factor in taking decisions and planning future activities. Managers are concerned about the costs that will appear in the future, their level underpinning the supply and production decisions as well as price policy. An important factor is the efficiency of cost information system in such a way that the information provided by it may be useful for decisions and planning of the work.

  6. Calculator. Owning a Small Business.

    Science.gov (United States)

    Parma City School District, OH.

    Seven activities are presented in this student workbook designed for an exploration of small business ownership and the use of the calculator in this career. Included are simulated situations in which students must use a calculator to compute property taxes; estimate payroll taxes and franchise taxes; compute pricing, approximate salaries,…

  7. Calculation of Spectra of Solids:

    DEFF Research Database (Denmark)

    Lindgård, Per-Anker

    1975-01-01

    The Gilat-Raubenheimer method simplified to tetrahedron division is used to calculate the real and imaginary part of the dynamical response function for electrons. A frequency expansion for the real part is discussed. The Lindhard function is calculated as a test for numerical accuracy. The condu...

  8. Closure and Sealing Design Calculation

    Energy Technology Data Exchange (ETDEWEB)

    T. Lahnalampi; J. Case

    2005-08-26

    The purpose of the ''Closure and Sealing Design Calculation'' is to illustrate closure and sealing methods for sealing shafts, ramps, and identify boreholes that require sealing in order to limit the potential of water infiltration. In addition, this calculation will provide a description of the magma that can reduce the consequences of an igneous event intersecting the repository. This calculation will also include a listing of the project requirements related to closure and sealing. The scope of this calculation is to: summarize applicable project requirements and codes relating to backfilling nonemplacement openings, removal of uncommitted materials from the subsurface, installation of drip shields, and erecting monuments; compile an inventory of boreholes that are found in the area of the subsurface repository; describe the magma bulkhead feature and location; and include figures for the proposed shaft and ramp seals. The objective of this calculation is to: categorize the boreholes for sealing by depth and proximity to the subsurface repository; develop drawing figures which show the location and geometry for the magma bulkhead; include the shaft seal figures and a proposed construction sequence; and include the ramp seal figure and a proposed construction sequence. The intent of this closure and sealing calculation is to support the License Application by providing a description of the closure and sealing methods for the Safety Analysis Report. The closure and sealing calculation will also provide input for Post Closure Activities by describing the location of the magma bulkhead. This calculation is limited to describing the final configuration of the sealing and backfill systems for the underground area. The methods and procedures used to place the backfill and remove uncommitted materials (such as concrete) from the repository and detailed design of the magma bulkhead will be the subject of separate analyses or calculations. Post

  9. CALCULATION OF COMPANY COSTS THROUGH THE DIRECT-COSTING CALCULATION METHOD

    Directory of Open Access Journals (Sweden)

    Florin-Constantin DIMA

    2013-06-01

    Full Text Available The cost of production has as its starting point the purchase cost of raw materials and consumables, as well as their processing cost and the calculation of the production cost involves complex aspects. This article is based on the two major concepts of costs calculation, namely the concept of full costs and the concept of partial costs, and it analyses the direct-costing calculation method. Necessity of the Development of calculation methods to ensure rapid determination of the cost of production, and the establishment of indicators broad spectrum of information necessary for making decisions to streamline a business activity conducted by direct-costing method. Direct-costing method appeared in the U.S. for the first time in 1934 (applied by Jonathan Harris and G. Charter Harrison. Subsequently, this method was applied to European countries (England, France, Germany etc.. We stopped on this method because it is considered a modern method of costing. Therefore, we analyzed both advantages and limitations of the method in question

  10. Cyclic adenosine monophosphate signal pathway in targeted therapy of lymphoma

    Institute of Scientific and Technical Information of China (English)

    DOU Ai-xia; WANG Xin

    2010-01-01

    Objective To review the role of cyclic adenosine monophosphate (cAMP) signal pathway in the pathogenesis oflymphoma and explore a potential lymphoma therapy targeted on this signaling pathway.Data sources The data cited in this review were mainly obtained from the articles listed in Medline and PubMed,published from January 1995 to June 2009. The search terms were "cAMP" and "lymphoma".Study selection Articles regarding the role of the cAMP pathway in apoptosis of lymphoma and associated cells and itspotential role in targeted therapy of lymphoma.Results In the transformation of lymphocytic malignancies, several signal pathways are involved. Among of them, thecAMP pathway has attracted increasing attention because of its apoptosis-inducing role in several lymphoma cells. cAMPpathway impairment is found to influence the prognosis of lymphoma. Targeted therapy to the cAMP pathway seems tobe a new direction for lymphoma treatment, aiming at restoring the cAMP function.Conclusions cAMP signal pathway has different effects on various lymphoma cells. cAMP analogues andphosphodiesterase 4B (PDE4B) inhibitors have potential clinical significance. However, many challenges remain inunderstanding the various roles of such agents.

  11. Practical astronomy with your calculator

    CERN Document Server

    Duffett-Smith, Peter

    1989-01-01

    Practical Astronomy with your Calculator, first published in 1979, has enjoyed immense success. The author's clear and easy to follow routines enable you to solve a variety of practical and recreational problems in astronomy using a scientific calculator. Mathematical complexity is kept firmly in the background, leaving just the elements necessary for swiftly making calculations. The major topics are: time, coordinate systems, the Sun, the planetary system, binary stars, the Moon, and eclipses. In the third edition there are entirely new sections on generalised coordinate transformations, nutr

  12. Activation calculation of the EURISOL mercury target

    Energy Technology Data Exchange (ETDEWEB)

    Rapp, B.; David, J.C.; Blideanu, V.; Dore, D.; Ridikas, D.; Thiolliere, N

    2006-08-15

    We have used MCNPX coupled to CINDER to estimate the production of radioactive nuclides in the EURISOL 4 MW liquid mercury target during a 40 years'lifetime of the installation. The calculations have been done with different intra-nuclear cascade and fission evaporation model combinations. A benchmark exercise has allowed a better understanding of differences seen between these models for the creation of tritium and fission products. To obtain a realistic production yield for tritium gas in proton induced spallation reactions, we recommend using the ISABEL-RAL model, while both CEM2k and BERTINI-RAL overestimate the production rate above 1 GeV incident proton. The best combinations of models to calculate the residual nuclei production are those using ABLA fission-evaporation model, CEM2k or combinations using RAL model are giving too broad mass distributions when compared to available data. An extensive list of radio-nuclides was obtained and is available on tabular format, we show that the 4 nuclei whose contributions to the total activity of the mercury target (after 40 years of irradiation) are the most important are the following: -) 1 day after shutdown: Y{sup 91} (15%), Y{sup 90} (13%), Hg{sup 197} (6%) and Sr{sup 89} (5%); -) 1 year after shutdown: H{sup 3} (19%), Y{sup 90} (17%), Sr{sup 90} (17%) and Nb{sup 93*} (10%); -) 10 years after shutdown: Y{sup 90} (22%), Sr{sup 90} (22%), H{sup 3} (18%) and Nb{sup 93*} (14%); and -) 100 years after shutdown: Mo{sup 93} (34%), Nb{sup 93*} (32%), Pt{sup 193} (9%) and Y{sup 90} (8%). (A.C.)

  13. Spectral-Product Methods for Electronic Structure Calculations (Postprint)

    Science.gov (United States)

    2007-06-12

    and electronically excited potential energy surfaces in Monte Carlo and molecular dynamics simula- tions of singly doped inert-gas clusters [27], the...Matsunaga N, Nguyen KA, Su SJ, Windus TL, Dupuis M, Montgomery JA (1993) J Comput Chem 14:1347 3. Pauli W (1925) Z Physik 31:765 4. Heisenberg W (1926) Z...Physik 38:411 5. Heisenberg W (1926) Z Physik 39:499 6. Heisenberg W (1926) Z Physik 40:501 7. Dirac PAM (1926) Proc R Soc (London) A 112:661 8

  14. Calculating the Economic and Environmental Effects of Agricultural Production

    DEFF Research Database (Denmark)

    Skop, E.; Schou, J. S.

    Projekt: Bæredygtige strategier i landbruget. Et tværfagligt forskningsprojekt med deltagelse af Statens Jordbrugsøkonomiske Institut, Statens Planteavlsforsøg, Statens Jordbrugstekniske Forsøg, Statens Husdyrsforsøg, Den Kgl. Veterinær- og Landbohøjskole og Danmarks Miljøundersøgelser....

  15. Calculating Lyapunov Exponents: Applying Products and Evaluating Integrals

    Science.gov (United States)

    McCartney, Mark

    2010-01-01

    Two common examples of one-dimensional maps (the tent map and the logistic map) are generalized to cases where they have more than one control parameter. In the case of the tent map, this still allows the global Lyapunov exponent to be found analytically, and permits various properties of the resulting global Lyapunov exponents to be investigated…

  16. Detailed Burnup Calculations for Research Reactors

    Energy Technology Data Exchange (ETDEWEB)

    Leszczynski, F. [Centro Atomico Bariloche (CNEA), 8400 S. C. de Bariloche (Argentina)

    2011-07-01

    A general method (RRMCQ) has been developed by introducing a microscopic burn up scheme which uses the Monte Carlo calculated spatial power distribution of a research reactor core and a depletion code for burn up calculations, as a basis for solving nuclide material balance equations for each spatial region in which the system is divided. Continuous energy dependent cross-section libraries and full 3D geometry of the system is input for the calculations. The resulting predictions for the system at successive burn up time steps are thus based on a calculation route where both geometry and cross-sections are accurately represented, without geometry simplifications and with continuous energy data. The main advantage of this method over the classical deterministic methods currently used is that RRMCQ System is a direct 3D method without the limitations and errors introduced on the homogenization of geometry and condensation of energy of deterministic methods. The Monte Carlo and burn up codes adopted until now are the widely used MCNP5 and ORIGEN2 codes, but other codes can be used also. For using this method, there is a need of a well-known set of nuclear data for isotopes involved in burn up chains, including burnable poisons, fission products and actinides. For fixing the data to be included on this set, a study of the present status of nuclear data is performed, as part of the development of RRMCQ method. This study begins with a review of the available cross-section data of isotopes involved in burn up chains for research nuclear reactors. The main data needs for burn up calculations are neutron cross-sections, decay constants, branching ratios, fission energy and yields. The present work includes results of selected experimental benchmarks and conclusions about the sensitivity of different sets of cross-section data for burn up calculations, using some of the main available evaluated nuclear data files. Basically, the RRMCQ detailed burn up method includes four

  17. MFTF-B performance calculations

    Energy Technology Data Exchange (ETDEWEB)

    Thomassen, K.I.; Jong, R.A.

    1982-12-06

    In this report we document the operating scenario models and calculations as they exist and comment on those aspects of the models where performance is sensitive to the assumptions that are made. We also focus on areas where improvements need to be made in the mathematical descriptions of phenomena, work which is in progress. To illustrate the process of calculating performance, and to be very specific in our documentation, part 2 of this report contains the complete equations and sequence of calculations used to determine parameters for the MARS mode of operation in MFTF-B. Values for all variables for a particular set of input parameters are also given there. The point design so described is typical, but should be viewed as a snapshot in time of our ongoing estimations and predictions of performance.

  18. Insertion device calculations with mathematica

    Energy Technology Data Exchange (ETDEWEB)

    Carr, R. [Stanford Synchrotron Radiation Lab., CA (United States); Lidia, S. [Univ. of California, Davis, CA (United States)

    1995-02-01

    The design of accelerator insertion devices such as wigglers and undulators has usually been aided by numerical modeling on digital computers, using code in high level languages like Fortran. In the present era, there are higher level programming environments like IDL{reg_sign}, MatLab{reg_sign}, and Mathematica{reg_sign} in which these calculations may be performed by writing much less code, and in which standard mathematical techniques are very easily used. The authors present a suite of standard insertion device modeling routines in Mathematica to illustrate the new techniques. These routines include a simple way to generate magnetic fields using blocks of CSEM materials, trajectory solutions from the Lorentz force equations for given magnetic fields, Bessel function calculations of radiation for wigglers and undulators and general radiation calculations for undulators.

  19. The Collective Practice of Calculation

    DEFF Research Database (Denmark)

    Schrøder, Ida

    and judgement to reach decisions to invest in social services. The line is not drawn between the two, but between the material arrangements that make decisions possible. This implies that the insisting on qualitatively based decisions gives the professionals agency to collectively engage in practical......The calculation of costs plays an increasingly large role in the decision-making processes of public sector human service organizations. This has brought scholars of management accounting to investigate the relationship between caring professions and demands to make economic entities of the service...... on the idea that professions are hybrids by introducing the notion of qualculation as an entry point to investigate decision-making in child protection work as an extreme case of calculating on the basis of other elements than quantitative numbers. The analysis reveals that it takes both calculation...

  20. Friction and wear calculation methods

    CERN Document Server

    Kragelsky, I V; Kombalov, V S

    1981-01-01

    Friction and Wear: Calculation Methods provides an introduction to the main theories of a new branch of mechanics known as """"contact interaction of solids in relative motion."""" This branch is closely bound up with other sciences, especially physics and chemistry. The book analyzes the nature of friction and wear, and some theoretical relationships that link the characteristics of the processes and the properties of the contacting bodies essential for practical application of the theories in calculating friction forces and wear values. The effect of the environment on friction and wear is a

  1. Multifragmentation calculated with relativistic forces

    CERN Document Server

    Feldmeier, H; Papp, G

    1995-01-01

    A saturating hamiltonian is presented in a relativistically covariant formalism. The interaction is described by scalar and vector mesons, with coupling strengths adjusted to the nuclear matter. No explicit density depe ndence is assumed. The hamiltonian is applied in a QMD calculation to determine the fragment distribution in O + Br collision at different energies (50 -- 200 MeV/u) to test the applicability of the model at low energies. The results are compared with experiment and with previous non-relativistic calculations. PACS: 25.70Mn, 25.75.+r

  2. Molecular calculations with B functions

    CERN Document Server

    Steinborn, E O; Ema, I; López, R; Ramírez, G

    1998-01-01

    A program for molecular calculations with B functions is reported and its performance is analyzed. All the one- and two-center integrals, and the three-center nuclear attraction integrals are computed by direct procedures, using previously developed algorithms. The three- and four-center electron repulsion integrals are computed by means of Gaussian expansions of the B functions. A new procedure for obtaining these expansions is also reported. Some results on full molecular calculations are included to show the capabilities of the program and the quality of the B functions to represent the electronic functions in molecules.

  3. Quantum mechanical calculations and mineral spectroscopy

    Science.gov (United States)

    Kubicki, J. D.

    2006-05-01

    Interpretation of spectra in systems of environmental interest is not generally straightforward due to the lack of close analogs and a clear structure of some components of the system. Computational chemistry can be used as an objective method to test interpretations of spectra. This talk will focus on applying ab initio methods to complement vibrational, NMR, and EXAFS spectroscopic information. Examples of systems studied include phosphate/Fe-hydroxides, arsenate/Al- and Fe-hydroxide, fractured silica surfaces. Phosphate interactions with Fe-hydroxides are important in controlling nutrient availability in soils and transport within streams. In addition, organo-phosphate bonding may be a key attachment mechanism for bacteria at Fe-oxide surfaces. Interpretation of IR spectra is enhanced by model predictions of vibrational frequencies for various surface complexes. Ab initio calculations were used to help explain As(V) and As(III) adsorption behavior onto amorphous Al- and Fe-hydroxides in conjunction with EXAFS measurements. Fractured silica surfaces have been implicated in silicosis. These calculations test structures that could give rise to radical formation on silica surfaces. Calculations to simulate the creation of Si and SiO radical species on sufaces and their subsequent production of OH radicals will be discussed.

  4. Methods for Melting Temperature Calculation

    Science.gov (United States)

    Hong, Qi-Jun

    Melting temperature calculation has important applications in the theoretical study of phase diagrams and computational materials screenings. In this thesis, we present two new methods, i.e., the improved Widom's particle insertion method and the small-cell coexistence method, which we developed in order to capture melting temperatures both accurately and quickly. We propose a scheme that drastically improves the efficiency of Widom's particle insertion method by efficiently sampling cavities while calculating the integrals providing the chemical potentials of a physical system. This idea enables us to calculate chemical potentials of liquids directly from first-principles without the help of any reference system, which is necessary in the commonly used thermodynamic integration method. As an example, we apply our scheme, combined with the density functional formalism, to the calculation of the chemical potential of liquid copper. The calculated chemical potential is further used to locate the melting temperature. The calculated results closely agree with experiments. We propose the small-cell coexistence method based on the statistical analysis of small-size coexistence MD simulations. It eliminates the risk of a metastable superheated solid in the fast-heating method, while also significantly reducing the computer cost relative to the traditional large-scale coexistence method. Using empirical potentials, we validate the method and systematically study the finite-size effect on the calculated melting points. The method converges to the exact result in the limit of a large system size. An accuracy within 100 K in melting temperature is usually achieved when the simulation contains more than 100 atoms. DFT examples of Tantalum, high-pressure Sodium, and ionic material NaCl are shown to demonstrate the accuracy and flexibility of the method in its practical applications. The method serves as a promising approach for large-scale automated material screening in which

  5. Method of calculating productivity of vertical wells with horizontal fracture in ifve-spot well pattern in low-permeability reservoirs%低渗油层五点井网水平裂缝直井产能计算方法

    Institute of Scientific and Technical Information of China (English)

    高大鹏; 高玉莹; 陈晨; 袁贺; 刘天宇; 孙正龙

    2016-01-01

    Low-permeability oil layers with poor physical properties and oil-bearing performance become the main potential reservoir when multilayer reservoir enters the stage of ultra-high water cut. Shallow low-permeability reservoirs may develop horizontal fractures after artiifcial fracturing, so the effect of threshold pressure gradient should be considered. For this purpose, analysis was conducted to the seepage ifeld characteristics induced by elliptical horizontal fractures in ifve-spot well pattern, and the calculation formula of the productivity of oil and watr was inferred by pressure loss caused by comprehensively threshold pressure gradient, material balance relation inside the reservoir as well as pressure drop superposition principle. Non-water lfooding independent untabulated reservoirs in Xingshugang oilifeld of Changyuan is taken as a practical case. Its dynamic indicators like oil production, water cut and recovery rate with ifve-spot well pattern fracturing are calculated and analyzed during the water lfooding development process by using the productivity formula. It is found that injector-producer spacing, fracture dimensionless lfow conductivity and initial oil saturation had an obvious effect on fracturing water-lfooding productivity. And the average oil production of single well had a sharp decline afterbeing put into production; even though expanding well spacing retarded the decline, the recovery percent dropped obviously. The main producing stage in this block was the period of strong water lfooding (water cut > 60%), and the percentage of produced geological reserves was higher when the initial oil saturation was lower.%多层油藏进入特高含水阶段以后,物性、含油性差的低渗油层成为主要挖潜对象,埋深浅的低渗油层人工压裂后容易形成水平裂缝,并且需要考虑启动压力梯度的影响。为此,分析了五点井网中椭圆水平裂缝诱发的渗流场的特点,综合启动压力梯度造成

  6. Ab Initio Calculations of Oxosulfatovanadates

    DEFF Research Database (Denmark)

    Frøberg, Torben; Johansen, Helge

    1996-01-01

    Restricted Hartree-Fock and multi-configurational self-consistent-field calculations together with secondorder perturbation theory have been used to study the geometry, the electron density, and the electronicspectrum of (VO2SO4)-. A bidentate sulphate attachment to vanadium was found to be stable...

  7. Dead reckoning calculating without instruments

    CERN Document Server

    Doerfler, Ronald W

    1993-01-01

    No author has gone as far as Doerfler in covering methods of mental calculation beyond simple arithmetic. Even if you have no interest in competing with computers you'll learn a great deal about number theory and the art of efficient computer programming. -Martin Gardner

  8. ITER Port Interspace Pressure Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Carbajo, Juan J [ORNL; Van Hove, Walter A [ORNL

    2016-01-01

    The ITER Vacuum Vessel (VV) is equipped with 54 access ports. Each of these ports has an opening in the bioshield that communicates with a dedicated port cell. During Tokamak operation, the bioshield opening must be closed with a concrete plug to shield the radiation coming from the plasma. This port plug separates the port cell into a Port Interspace (between VV closure lid and Port Plug) on the inner side and the Port Cell on the outer side. This paper presents calculations of pressures and temperatures in the ITER (Ref. 1) Port Interspace after a double-ended guillotine break (DEGB) of a pipe of the Tokamak Cooling Water System (TCWS) with high temperature water. It is assumed that this DEGB occurs during the worst possible conditions, which are during water baking operation, with water at a temperature of 523 K (250 C) and at a pressure of 4.4 MPa. These conditions are more severe than during normal Tokamak operation, with the water at 398 K (125 C) and 2 MPa. Two computer codes are employed in these calculations: RELAP5-3D Version 4.2.1 (Ref. 2) to calculate the blowdown releases from the pipe break, and MELCOR, Version 1.8.6 (Ref. 3) to calculate the pressures and temperatures in the Port Interspace. A sensitivity study has been performed to optimize some flow areas.

  9. Calculations for cosmic axion detection

    Science.gov (United States)

    Krauss, L.; Moody, J.; Wilczek, F.; Morris, D. E.

    1985-01-01

    Calculations are presented, using properly nomalized couplings and masses for Dine-Fischler-Srednicki axions, of power rates and signal temperatures for axion-photon conversion in microwave cavities. The importance of the galactic-halo axion line shape is emphasized. Spin-coupled detection as an alternative to magnetic-field-coupled detection is mentioned.

  10. Theoretical Calculation of MMF's Bandwidth

    Institute of Scientific and Technical Information of China (English)

    LI Xiao-fu; JIANG De-sheng; YU Hai-hu

    2004-01-01

    The difference between over-filled launch bandwidth (OFL BW) and restricted mode launch bandwidth (RML BW) is described. A theoretical model is founded to calculate the OFL BW of grade index multimode fiber (GI-MMF),and the result is useful to guide the modification of the manufacturing method.

  11. Data Acquisition and Flux Calculations

    DEFF Research Database (Denmark)

    Rebmann, C.; Kolle, O; Heinesch, B;

    2012-01-01

    In this chapter, the basic theory and the procedures used to obtain turbulent fluxes of energy, mass, and momentum with the eddy covariance technique will be detailed. This includes a description of data acquisition, pretreatment of high-frequency data and flux calculation....

  12. Mechanistic Perspectives of Maslinic Acid in Targeting Inflammation

    Directory of Open Access Journals (Sweden)

    Wei Hsum Yap

    2015-01-01

    Full Text Available Chronic inflammation drives the development of various pathological diseases such as rheumatoid arthritis, atherosclerosis, multiple sclerosis, and cancer. The arachidonic acid pathway represents one of the major mechanisms for inflammation. Prostaglandins (PGs are lipid products generated from arachidonic acid by the action of cyclooxygenase (COX enzymes and their activity is blocked by nonsteroidal anti-inflammatory drugs (NSAIDS. The use of natural compounds in regulation of COX activity/prostaglandins production is receiving increasing attention. In Mediterranean diet, olive oil and table olives contain significant dietary sources of maslinic acid. Maslinic acid is arising as a safe and novel natural pentacyclic triterpene which has protective effects against chronic inflammatory diseases in various in vivo and in vitro experimental models. Understanding the anti-inflammatory mechanism of maslinic acid is crucial for its development as a potential dietary nutraceutical. This review focuses on the mechanistic action of maslinic acid in regulating the inflammation pathways through modulation of the arachidonic acid metabolism including the nuclear factor-kappa B (NF-κB/COX-2 expression, upstream protein kinase signaling, and phospholipase A2 enzyme activity. Further investigations may provide insight into the mechanism of maslinic acid in regulating the molecular targets and their associated pathways in response to specific inflammatory stimuli.

  13. Future perspectives in target-specific immunotherapies of myasthenia gravis.

    Science.gov (United States)

    Dalakas, Marinos C

    2015-11-01

    Myasthenia gravis (MG) is an autoimmune disease caused by complement-fixing antibodies against acetylcholine receptors (AChR); antigen-specific CD4+ T cells, regulatory T cells (Tregs) and T helper (Th) 17+ cells are essential in antibody production. Target-specific therapeutic interventions should therefore be directed against antibodies, B cells, complement and molecules associated with T cell signaling. Even though the progress in the immunopathogenesis of the disease probably exceeds any other autoimmune disorder, MG is still treated with traditional drugs or procedures that exert a non-antigen specific immunosuppression or immunomodulation. Novel biological agents currently on the market, directed against the following molecular pathways, are relevant and specific therapeutic targets that can be tested in MG: (a) T cell intracellular signaling molecules, such as anti-CD52, anti-interleukin (IL) 2 receptors, anti- costimulatory molecules, and anti-Janus tyrosine kinases (JAK1, JAK3) that block the intracellular cascade associated with T-cell activation; (b) B cells and their trophic factors, directed against key B-cell molecules; (c) complement C3 or C5, intercepting the destructive effect of complement-fixing antibodies; (d) cytokines and cytokine receptors, such as those targeting IL-6 which promotes antibody production and IL-17, or the p40 subunit of IL-12/1L-23 that affect regulatory T cells; and (e) T and B cell transmigration molecules associated with lymphocyte egress from the lymphoid organs. All drugs against these molecular pathways require testing in controlled trials, although some have already been tried in small case series. Construction of recombinant AChR antibodies that block binding of the pathogenic antibodies, thereby eliminating complement and antibody-depended-cell-mediated cytotoxicity, are additional novel molecular tools that require exploration in experimental MG.

  14. Calculation of driling and blasting parameters in blasting performance

    OpenAIRE

    Dambov, Risto; Karanakova Stefanovska, Radmila; Dambov, Ilija

    2015-01-01

    In all mining technology drilling and blasting parameters and works are one of the main production processes at each mine. The parameters of drilling and blasting and explosives consumption per ton of blasting mass are define economic indicators of any blasting no matter for what purpose and where mining is performed. The calculation of rock blasting should always have in mind that the methodology of calculation of all drilling and blasting parameters in blasting performance are performed for...

  15. Threshold singularities, dispersion relations and fixed-order perturbative calculations

    CERN Document Server

    Beneke, Martin

    2016-01-01

    We show how to correctly treat threshold singularities in fixed-order perturbative calculations of the electron anomalous magnetic moment and hadronic pair production processes such as top pair production. With respect to the former, we demonstrate the equivalence of the "non-perturbative", resummed treatment of the vacuum polarization contribution, whose spectral function exhibits bound state poles, with the fixed-order calculation by identifying a threshold localized term in the four-loop spectral function. In general, we find that a modification of the dispersion relation by threshold subtractions is required to make fixed-order calculations well-defined and provide the subtraction term. We then solve the apparent problem of a divergent convolution of the partonic cross section with the parton luminosity in the computation of the top pair production cross section starting from the fourth-order correction. We find that when the computation is performed in the usual way as an integral of real and virtual cor...

  16. CONTRIBUTION FOR MINING ATMOSPHERE CALCULATION

    Directory of Open Access Journals (Sweden)

    Franica Trojanović

    1989-12-01

    Full Text Available Humid air is an unavoidable feature of mining atmosphere, which plays a significant role in defining the climate conditions as well as permitted circumstances for normal mining work. Saturated humid air prevents heat conduction from the human body by means of evaporation. Consequently, it is of primary interest in the mining practice to establish the relative air humidity either by means of direct or indirect methods. Percentage of water in the surrounding air may be determined in various procedures including tables, diagrams or particular calculations, where each technique has its specific advantages and disadvantages. Classical calculation is done according to Sprung's formula, in which case partial steam pressure should also be taken from the steam table. The new method without the use of diagram or tables, established on the functional relation of pressure and temperature on saturated line, is presented here for the first time (the paper is published in Croatian.

  17. Conditions for industrial production

    DEFF Research Database (Denmark)

    Jensen, Karsten Ingerslev; Schultz, Jørgen Munthe; Brauer, H.

    1996-01-01

    The possibility of an industrial aerogel glazing production is discussed with respect to sample size, sales volume and prices. Different ways of an industrial assembling line is outlined and the total costs of a 1 square meter aerogel glazing is calculated.......The possibility of an industrial aerogel glazing production is discussed with respect to sample size, sales volume and prices. Different ways of an industrial assembling line is outlined and the total costs of a 1 square meter aerogel glazing is calculated....

  18. A simple approximation of productivity scores of fuzzy production plans

    DEFF Research Database (Denmark)

    Hougaard, Jens Leth

    2005-01-01

    This paper suggests a simple approximation procedure for the assessment of productivity scores with respect to fuzzy production plans. The procedure has a clear economic interpretation and all the necessary calculations can be performed in a spreadsheet making it highly operational......This paper suggests a simple approximation procedure for the assessment of productivity scores with respect to fuzzy production plans. The procedure has a clear economic interpretation and all the necessary calculations can be performed in a spreadsheet making it highly operational...

  19. Fuel depletion calculation in MTR-LEU NUR reactor

    Directory of Open Access Journals (Sweden)

    Zeggar Foudil

    2008-01-01

    Full Text Available In this article, we present the results of a few energy groups calculations for the NUR reactor fuel depletion analysis up to 45 000 MWd/tU taken as the maximum fuel burn up. The WIMSD-4 cell code has been employed as a calculation tool. In this study, we are interested in actinides such as the uranium and plutonium isotopes, as well as fission products Xe-135, Sm-149, Sm-151, Eu-155, and Gd-157. Calculation results regarding the five energy groups are in a good agreement with those obtained with only two energy groups which can, therefore, be used in all subsequent calculations. Calculation results presented in this article can be used as a microscopic data base for estimating the amount of radioactive sources randomly dispersed in the environment. They can also be used to monitor the fuel assemblies inventory at the core level.

  20. Archimedes' calculations of square roots

    CERN Document Server

    Davies, E B

    2011-01-01

    We reconsider Archimedes' evaluations of several square roots in 'Measurement of a Circle'. We show that several methods proposed over the last century or so for his evaluations fail one or more criteria of plausibility. We also provide internal evidence that he probably used an interpolation technique. The conclusions are relevant to the precise calculations by which he obtained upper and lower bounds on pi.

  1. Parallel plasma fluid turbulence calculations

    Energy Technology Data Exchange (ETDEWEB)

    Leboeuf, J.N.; Carreras, B.A.; Charlton, L.A.; Drake, J.B.; Lynch, V.E.; Newman, D.E.; Sidikman, K.L.; Spong, D.A.

    1994-12-31

    The study of plasma turbulence and transport is a complex problem of critical importance for fusion-relevant plasmas. To this day, the fluid treatment of plasma dynamics is the best approach to realistic physics at the high resolution required for certain experimentally relevant calculations. Core and edge turbulence in a magnetic fusion device have been modeled using state-of-the-art, nonlinear, three-dimensional, initial-value fluid and gyrofluid codes. Parallel implementation of these models on diverse platforms--vector parallel (National Energy Research Supercomputer Center`s CRAY Y-MP C90), massively parallel (Intel Paragon XP/S 35), and serial parallel (clusters of high-performance workstations using the Parallel Virtual Machine protocol)--offers a variety of paths to high resolution and significant improvements in real-time efficiency, each with its own advantages. The largest and most efficient calculations have been performed at the 200 Mword memory limit on the C90 in dedicated mode, where an overlap of 12 to 13 out of a maximum of 16 processors has been achieved with a gyrofluid model of core fluctuations. The richness of the physics captured by these calculations is commensurate with the increased resolution and efficiency and is limited only by the ingenuity brought to the analysis of the massive amounts of data generated.

  2. Mensuração dos custos e avaliação de rendas em sistemas de produção de leite caprino nos Cariris Paraibanos Calculation of the costs and evaluation of incomes in different systems of production of goat milk in Cariris Paraibanos

    Directory of Open Access Journals (Sweden)

    Hélio Luiz Beretta Dal Monte

    2010-11-01

    Full Text Available Objetivou-se mensurar o custo de produção do leite e avaliar a renda na atividade caprina por sistemas de produção. Os sistemas de produção estão localizados na microrregião dos Cariris Paraibanos e foram definidos por critérios de eficiência técnica e econômica, com método de agrupamento por análise multivariada e formação de cinco grupos. O método utilizado para o custo de produção foi o custo operacional, e o critério adotado para a conversão do custo da atividade leiteira para o custo do leite foi da participação da renda do leite na renda bruta da atividade. Os critérios adotados de análise de rendas foram margem bruta e margem líquida. No cômputo do custo de produção do leite de cabra, os valores foram de R$ 0,67/L; R$ 0,73/L; R$ 0,80/L; R$ 0,88/L; e R$ 1,21/L para os sistemas de produção 1, 2, 3, 4 e 5. Os sistemas de produção 1 e 2, de alta tecnologia, com margem líquida de R$ 9.147,30 e R$ 3.995,18 na atividade leiteira, foram os que apresentaram os menores custos e economicamente são os mais vantajosos.The study aimed at calculating milk production cost and evaluating the income in goat milk farm activity by production systems. The production systems are located in the sub region of Cariris Paraibanos and they were defined by criteria of technical and economical efficiency, with grouping method by multivariate data analysis and formation of five groups. The method used for production cost was the operational cost, and the criterion adopted for the conversion of the milk activity cost for the cost of the milk was the participation of the milk income in the gross income of the activity. The criteria adopted for analysis of income were gross margin and net margin. In the count of goat milk production cost the values were R$ 0.67/L R$ 0.73/L, R$ 0.80/L, R$ 0.88/L and R$ 1.21/L for the production systems 1, 2, 3, 4 and 5. Systems of production 1 and 2 with high technology and net margin of R$ 9,147.30 and

  3. Optimization of sources for focusing wave energy in targeted formations

    KAUST Repository

    Jeong, C

    2010-06-08

    We discuss a numerical approach for identifying the surface excitation that is necessary to maximize the response of a targeted subsurface formation. The motivation stems from observations in the aftermath of earthquakes, and from limited field experiments, whereby increased oil production rates were recorded and were solely attributable to the induced reservoir shaking. The observations suggest that focusing wave energy to the reservoir could serve as an effective low-cost enhanced oil recovery method. In this paper, we report on a general method that allows the determination of the source excitation, when provided with a desired maximization outcome at the targeted formation. We discuss, for example, how to construct the excitation that will maximize the kinetic energy in the target zone, while keeping silent the neighbouring zones. To this end, we cast the problem as an inverse-source problem, and use a partial-differential- equation-constrained optimization approach to arrive at an optimized source signal. We seek to satisfy stationarity of an augmented functional, which formally leads to a triplet of state, adjoint and control problems. We use finite elements to resolve the state and adjoint problems, and an iterative scheme to satisfy the control problem to converge to the sought source signal. We report on one-dimensional numerical experiments in the time domain involving a layered medium of semi-infinite extent. The numerical results show that the targeted formation\\'s kinetic energy resulting from an optimized wave source could be several times greater than the one resulting from a blind source choice, and could overcome the mobility threshold of entrapped reservoir oil. © 2010 Nanjing Geophysical Research Institute.

  4. AGING FACILITY CRITICALITY SAFETY CALCULATIONS

    Energy Technology Data Exchange (ETDEWEB)

    C.E. Sanders

    2004-09-10

    The purpose of this design calculation is to revise and update the previous criticality calculation for the Aging Facility (documented in BSC 2004a). This design calculation will also demonstrate and ensure that the storage and aging operations to be performed in the Aging Facility meet the criticality safety design criteria in the ''Project Design Criteria Document'' (Doraswamy 2004, Section 4.9.2.2), and the functional nuclear criticality safety requirement described in the ''SNF Aging System Description Document'' (BSC [Bechtel SAIC Company] 2004f, p. 3-12). The scope of this design calculation covers the systems and processes for aging commercial spent nuclear fuel (SNF) and staging Department of Energy (DOE) SNF/High-Level Waste (HLW) prior to its placement in the final waste package (WP) (BSC 2004f, p. 1-1). Aging commercial SNF is a thermal management strategy, while staging DOE SNF/HLW will make loading of WPs more efficient (note that aging DOE SNF/HLW is not needed since these wastes are not expected to exceed the thermal limits form emplacement) (BSC 2004f, p. 1-2). The description of the changes in this revised document is as follows: (1) Include DOE SNF/HLW in addition to commercial SNF per the current ''SNF Aging System Description Document'' (BSC 2004f). (2) Update the evaluation of Category 1 and 2 event sequences for the Aging Facility as identified in the ''Categorization of Event Sequences for License Application'' (BSC 2004c, Section 7). (3) Further evaluate the design and criticality controls required for a storage/aging cask, referred to as MGR Site-specific Cask (MSC), to accommodate commercial fuel outside the content specification in the Certificate of Compliance for the existing NRC-certified storage casks. In addition, evaluate the design required for the MSC that will accommodate DOE SNF/HLW. This design calculation will achieve the objective of providing the

  5. Calculation of gas turbine characteristic

    Science.gov (United States)

    Mamaev, B. I.; Murashko, V. L.

    2016-04-01

    The reasons and regularities of vapor flow and turbine parameter variation depending on the total pressure drop rate π* and rotor rotation frequency n are studied, as exemplified by a two-stage compressor turbine of a power-generating gas turbine installation. The turbine characteristic is calculated in a wide range of mode parameters using the method in which analytical dependences provide high accuracy for the calculated flow output angle and different types of gas dynamic losses are determined with account of the influence of blade row geometry, blade surface roughness, angles, compressibility, Reynolds number, and flow turbulence. The method provides satisfactory agreement of results of calculation and turbine testing. In the design mode, the operation conditions for the blade rows are favorable, the flow output velocities are close to the optimal ones, the angles of incidence are small, and the flow "choking" modes (with respect to consumption) in the rows are absent. High performance and a nearly axial flow behind the turbine are obtained. Reduction of the rotor rotation frequency and variation of the pressure drop change the flow parameters, the parameters of the stages and the turbine, as well as the form of the characteristic. In particular, for decreased n, nonmonotonic variation of the second stage reactivity with increasing π* is observed. It is demonstrated that the turbine characteristic is mainly determined by the influence of the angles of incidence and the velocity at the output of the rows on the losses and the flow output angle. The account of the growing flow output angle due to the positive angle of incidence for decreased rotation frequencies results in a considerable change of the characteristic: poorer performance, redistribution of the pressure drop at the stages, and change of reactivities, growth of the turbine capacity, and change of the angle and flow velocity behind the turbine.

  6. Calculation of topological connectivity index for minerals

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Topological method was applied firstly to calculate the topological connectivity index of minerals (TCIM). The reciprocal of effective atomic refractivity of metal dement in minerals was chosen as its valence. The reasonability of TCIM as an activity criterion was tested through comparison of TCIM with two kinds of dectronegativity parameter, i.e. ionic percentage and energy criteria of Yang's electronegativity, solubility product, energy criterion according to the gen eralized perturbation theory and adsorption of flotation reagents on the surface of minerals. The results indicated that TCIM is an effective structural parameter of minerals to study the structure-activity relationship. In addition, different mineral is of different TCIM value, so TCIM brings about convenience in comparison of flotation activity for minerals.

  7. Calculation of light emission in sonoluminescence

    Institute of Scientific and Technical Information of China (English)

    LI ChaoHui; AN Yu

    2009-01-01

    We modify a uniform model of single bubble sonoluminescenca, in which heat diffusion, water vapor diffusion and chemical reactions are included to describe the bubble dynamics, and the processes of electron-atom bremsstrahlung, electron-ion bremsstrahlung and recombination radiation, radiative attachment of electrons to atoms and molecules, line emissions of OH radicals and Na atoms are taken into account to calculate the light emission. With this model, we compute the light pulse width, the photon number per flash, the continuum and line spectra and the gas species as the products of chemical reactions, and try to compare with all the experimental data available. We obtain good agreement with the observations of Ar and Xe bubbles in many cases, but fail to match the experi-mental data of the photon number per flash. We also find that for He bubble the computed photon number is always too small to interpret the observations.

  8. Calculation of light emission in sonoluminescence

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    We modify a uniform model of single bubble sonoluminescence,in which heat diffusion,water vapor diffusion and chemical reactions are included to describe the bubble dynamics,and the processes of electron-atom bremsstrahlung,electron-ion bremsstrahlung and recombination radiation,radiative attachment of electrons to atoms and molecules,line emissions of OH radicals and Na atoms are taken into account to calculate the light emission. With this model,we compute the light pulse width,the photon number per flash,the continuum and line spectra and the gas species as the products of chemical reactions,and try to compare with all the experimental data available. We obtain good agreement with the observations of Ar and Xe bubbles in many cases,but fail to match the experimental data of the photon number per flash. We also find that for He bubble the computed photon number is always too small to interpret the observations.

  9. Rate calculation with colored noise

    CERN Document Server

    Bartsch, Thomas; Benito, R M; Borondo, F

    2016-01-01

    The usual identification of reactive trajectories for the calculation of reaction rates requires very time-consuming simulations, particularly if the environment presents memory effects. In this paper, we develop a new method that permits the identification of reactive trajectories in a system under the action of a stochastic colored driving. This method is based on the perturbative computation of the invariant structures that act as separatrices for reactivity. Furthermore, using this perturbative scheme, we have obtained a formally exact expression for the reaction rate in multidimensional systems coupled to colored noisy environments.

  10. Band calculation of lonsdaleite Ge

    Science.gov (United States)

    Chen, Pin-Shiang; Fan, Sheng-Ting; Lan, Huang-Siang; Liu, Chee Wee

    2017-01-01

    The band structure of Ge in the lonsdaleite phase is calculated using first principles. Lonsdaleite Ge has a direct band gap at the Γ point. For the conduction band, the Γ valley is anisotropic with the low transverse effective mass on the hexagonal plane and the large longitudinal effective mass along the c axis. For the valence band, both heavy-hole and light-hole effective masses are anisotropic at the Γ point. The in-plane electron effective mass also becomes anisotropic under uniaxial tensile strain. The strain response of the heavy-hole mass is opposite to the light hole.

  11. Semiclassical calculation of decay rates

    CERN Document Server

    Bessa, A; Fraga, E S

    2008-01-01

    Several relevant aspects of quantum-field processes can be well described by semiclassical methods. In particular, the knowledge of non-trivial classical solutions of the field equations, and the thermal and quantum fluctuations around them, provide non-perturbative information about the theory. In this work, we discuss the calculation of the one-loop effective action from the semiclasssical viewpoint. We intend to use this formalism to obtain an accurate expression for the decay rate of non-static metastable states.

  12. Digital calculations of engine cycles

    CERN Document Server

    Starkman, E S; Taylor, C Fayette

    1964-01-01

    Digital Calculations of Engine Cycles is a collection of seven papers which were presented before technical meetings of the Society of Automotive Engineers during 1962 and 1963. The papers cover the spectrum of the subject of engine cycle events, ranging from an examination of composition and properties of the working fluid to simulation of the pressure-time events in the combustion chamber. The volume has been organized to present the material in a logical sequence. The first two chapters are concerned with the equilibrium states of the working fluid. These include the concentrations of var

  13. The Dental Trauma Internet Calculator

    DEFF Research Database (Denmark)

    Gerds, Thomas Alexander; Lauridsen, Eva Fejerskov; Christensen, Søren Steno Ahrensburg

    2012-01-01

    Background/Aim Prediction tools are increasingly used to inform patients about the future dental health outcome. Advanced statistical methods are required to arrive at unbiased predictions based on follow-up studies. Material and Methods The Internet risk calculator at the Dental Trauma Guide...... provides prognoses for teeth with traumatic injuries based on the Copenhagen trauma database: http://www.dentaltraumaguide.org The database includes 2191 traumatized permanent teeth from 1282 patients that were treated at the dental trauma unit at the University Hospital in Copenhagen (Denmark...

  14. Calculational Tool for Skin Contamination Dose Assessment

    CERN Document Server

    Hill, R L

    2002-01-01

    Spreadsheet calculational tool was developed to automate the calculations preformed for dose assessment of skin contamination. This document reports on the design and testing of the spreadsheet calculational tool.

  15. Phage therapy pharmacology: calculating phage dosing.

    Science.gov (United States)

    Abedon, Stephen

    2011-01-01

    Phage therapy, which can be described as a phage-mediated biocontrol of bacteria (or, simply, biocontrol), is the application of bacterial viruses-also bacteriophages or phages-to reduce densities of nuisance or pathogenic bacteria. Predictive calculations for phage therapy dosing should be useful toward rational development of therapeutic as well as biocontrol products. Here, I consider the theoretical basis of a number of concepts relevant to phage dosing for phage therapy including minimum inhibitory concentration (but also "inundation threshold"), minimum bactericidal concentration (but also "clearance threshold"), decimal reduction time (D value), time until bacterial eradication, threshold bacterial density necessary to support phage population growth ("proliferation threshold"), and bacterial density supporting half-maximal phage population growth rates (K(B)). I also address the concepts of phage killing titers, multiplicity of infection, and phage peak densities. Though many of the presented ideas are not unique to this chapter, I nonetheless provide variations on derivations and resulting formulae, plus as appropriate discuss relative importance. The overriding goal is to present a variety of calculations that are useful toward phage therapy dosing so that they may be found in one location and presented in a manner that allows facile appreciation, comparison, and implementation. The importance of phage density as a key determinant of the phage potential to eradicate bacterial targets is stressed throughout the chapter.

  16. Calculation of sound propagation in fibrous materials

    DEFF Research Database (Denmark)

    Tarnow, Viggo

    1996-01-01

    Calculations of attenuation and velocity of audible sound waves in glass wools are presented. The calculations use only the diameters of fibres and the mass density of glass wools as parameters. The calculations are compared with measurements.......Calculations of attenuation and velocity of audible sound waves in glass wools are presented. The calculations use only the diameters of fibres and the mass density of glass wools as parameters. The calculations are compared with measurements....

  17. Flow Field Calculations for Afterburner

    Institute of Scientific and Technical Information of China (English)

    ZhaoJianxing; LiuQuanzhong; 等

    1995-01-01

    In this paper a calculation procedure for simulating the coimbustion flow in the afterburner with the heat shield,flame stabilizer and the contracting nozzle is described and evaluated by comparison with experimental data.The modified two-equation κ-ε model is employed to consider the turbulence effects,and the κ-ε-g turbulent combustion model is used to determine the reaction rate.To take into accunt the influence of heat radiation on gas temperature distribution,heat flux model is applied to predictions of heat flux distributions,The solution domain spanned the entire region between centerline and afterburner wall ,with the heat shield represented as a blockage to the mesh.The enthalpy equation and wall boundary of the heat shield require special handling for two passages in the afterburner,In order to make the computer program suitable to engineering applications,a subregional scheme is developed for calculating flow fields of complex geometries.The computational grids employed are 100×100 and 333×100(non-uniformly distributed).The numerical results are compared with experimental data,Agreement between predictions and measurements shows that the numerical method and the computational program used in the study are fairly reasonable and appopriate for primary design of the afterburner.

  18. 47 CFR 1.1623 - Probability calculation.

    Science.gov (United States)

    2010-10-01

    ... Mass Media Services General Procedures § 1.1623 Probability calculation. (a) All calculations shall be... determine their new intermediate probabilities. (g) Multiply each applicant's probability pursuant...

  19. Bandgap calculations and trends of organometal halide perovskites

    DEFF Research Database (Denmark)

    Castelli, Ivano Eligio; García Lastra, Juan Maria; Thygesen, Kristian Sommer

    2014-01-01

    Energy production from the Sun requires a stable efficient light absorber. Promising candidates in this respect are organometal perovskites (ABX3), which have been intensely investigated during the last years. Here, we have performed electronic structure calculations of 240 perovskites composed...

  20. 40 CFR 98.83 - Calculating GHG emissions.

    Science.gov (United States)

    2010-07-01

    ... (CONTINUED) MANDATORY GREENHOUSE GAS REPORTING Cement Production § 98.83 Calculating GHG emissions. You must...) and (b) of this section. (a) For each cement kiln that meets the conditions specified in § 98.33(b)(4... combustion CO2 emissions by operating and maintaining a CEMS to measure CO2 emissions according to the Tier...

  1. Painless causality in defect calculations

    CERN Document Server

    Cheung, C; Cheung, Charlotte; Magueijo, Joao

    1997-01-01

    Topological defects must respect causality, a statement leading to restrictive constraints on the power spectrum of the total cosmological perturbations they induce. Causality constraints have for long been known to require the presence of an under-density in the surrounding matter compensating the defect network on large scales. This so-called compensation can never be neglected and significantly complicates calculations in defect scenarios, eg. computing cosmic microwave background fluctuations. A quick and dirty way to implement the compensation are the so-called compensation fudge factors. Here we derive the complete photon-baryon-CDM backreaction effects in defect scenarios. The fudge factor comes out as an algebraic identity and so we drop the negative qualifier ``fudge''. The compensation scale is computed and physically interpreted. Secondary backreaction effects exist, and neglecting them constitutes the well-defined approximation scheme within which one should consider compensation factor calculatio...

  2. Foreign Acquisition, Wages and Productivity

    DEFF Research Database (Denmark)

    Bandick, Roger

    This paper studies the effect of foreign acquisition on wages and total factor productivity (TFP) in the years following a takeover by using unique detailed firm-level data for Sweden for the period 1993-2002. The paper takes particular account of the potential endogeneity of the acquisition...... no effects on overall, skilled or less-skilled wage growth neither in targeted Swedish MNEs nor in targeted Swedish non-MNEs and neither if the acquisition was motivated by vertical or horizontal motives. However, the results indicate that both targeted Swedish MNEs and non-MNEs have better growth in TFP...

  3. Foreign Acquisition, Wages and Productivity

    DEFF Research Database (Denmark)

    Bandick, Roger

    2011-01-01

    This paper studies the effect of foreign acquisition on wages and total factor productivity (TFP) in the years following a takeover by using unique detailed firm-level data for Sweden for the period 1993-2002. The paper takes particular account of the potential endogeneity of the acquisition...... no effects on overall, skilled or less-skilled wage growth neither in targeted Swedish MNEs nor in targeted Swedish non-MNEs and neither if the acquisition was motivated by vertical or horizontal motives. However, the results indicate that both targeted Swedish MNEs and non-MNEs have better growth in TFP...

  4. Calculation of the energetics of chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Dunning, T.H. Jr.; Harding, L.B.; Shepard, R.L.; Harrison, R.J.

    1988-01-01

    To calculate the energetics of chemical reactions we must solve the electronic Schroedinger equation for the molecular conformations of importance for the reactive encounter. Substantial changes occur in the electronic structure of a molecular system as the reaction progresses from reactants through the transition state to products. To describe these changes, our approach includes the following three elements: the use of multiconfiguration self-consistent field wave functions to provide a consistent zero-order description of the electronic structure of the reactants, transition state, and products; the use of configuration interaction techniques to describe electron correlation effects needed to provide quantitative predictions of the reaction energetics; and the use of large, optimized basis sets to provide the flexibility needed to describe the variations in the electronic distributions. With this approach we are able to study reactions involving as many as 5--6 atoms with errors of just a few kcal/mol in the predicted reaction energetics. Predictions to chemical accuracy, i.e., to 1 kcal/mol or less, are not yet feasible, although continuing improvements in both the theoretical methodology and computer technology suggest that this will soon be possible, at least for reactions involving small polyatomic species. 4 figs.

  5. Dyscalculia and the Calculating Brain.

    Science.gov (United States)

    Rapin, Isabelle

    2016-08-01

    Dyscalculia, like dyslexia, affects some 5% of school-age children but has received much less investigative attention. In two thirds of affected children, dyscalculia is associated with another developmental disorder like dyslexia, attention-deficit disorder, anxiety disorder, visual and spatial disorder, or cultural deprivation. Infants, primates, some birds, and other animals are born with the innate ability, called subitizing, to tell at a glance whether small sets of scattered dots or other items differ by one or more item. This nonverbal approximate number system extends mostly to single digit sets as visual discrimination drops logarithmically to "many" with increasing numerosity (size effect) and crowding (distance effect). Preschoolers need several years and specific teaching to learn verbal names and visual symbols for numbers and school agers to understand their cardinality and ordinality and the invariance of their sequence (arithmetic number line) that enables calculation. This arithmetic linear line differs drastically from the nonlinear approximate number system mental number line that parallels the individual number-tuned neurons in the intraparietal sulcus in monkeys and overlying scalp distribution of discrete functional magnetic resonance imaging activations by number tasks in man. Calculation is a complex skill that activates both visual and spatial and visual and verbal networks. It is less strongly left lateralized than language, with approximate number system activation somewhat more right sided and exact number and arithmetic activation more left sided. Maturation and increasing number skill decrease associated widespread non-numerical brain activations that persist in some individuals with dyscalculia, which has no single, universal neurological cause or underlying mechanism in all affected individuals.

  6. Neutron dosimetry and damage calculations for the HFIR-JP-23 irradiations

    Energy Technology Data Exchange (ETDEWEB)

    Greenwood, L.R.; Ratner, R.T. [Pacific Northwest National Lab., Richland, WA (United States)

    1996-10-01

    Neutron fluence measurements and radiation damage calculations are reported for the joint US-Japanese experiment JP-23, which was conducted in target position G6 of the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL). The maximum neutron fluence at midplane was 4.4E+22 n/cm{sup 2} resulting in about 9.0 dpa in type 316 stainless steel.

  7. Neutron dosimetry and damage calculations for the HFIR-JP-23 irradiations

    Energy Technology Data Exchange (ETDEWEB)

    Greenwood, L.R.; Ratner, R.T. [Pacific Northwest National Lab., Richland, WA (United States)

    1997-04-01

    Neutron fluence measurements and radiation damage calculations are reported for the joint U.S. Japanese experiment JP-23, which was conducted in target position G6 of the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL). The maximum neutron fluence at midplanes was 4.4E+22 n/cm{sup 2} resulting in about 9.0 dpa in type 316 stainless steel.

  8. Automated higher-order calculations: Status and prospects

    CERN Document Server

    Ossola, Giovanni

    2015-01-01

    In this presentation we review the current status in the automated evaluation of scattering amplitudes, with particular attention to the developments related with NLO calculations, which led to the construction of powerful multi-purpose computational tools. After a general overview, we will devote a short section to describe the GoSam framework for NLO calculations and its application to the production of Higgs boson plus jets. We will then briefly comment on the challenges presented by NNLO calculations, whose structure is considerably more complicated. Finally, we will describe some of the features of the integrand-reduction techniques beyond NLO, an alternative promising approach to multi-loop calculations which is currently under development.

  9. Calculating fusion neutron energy spectra from arbitrary reactant distributions

    Science.gov (United States)

    Eriksson, J.; Conroy, S.; Andersson Sundén, E.; Hellesen, C.

    2016-02-01

    The Directional Relativistic Spectrum Simulator (DRESS) code can perform Monte-Carlo calculations of reaction product spectra from arbitrary reactant distributions, using fully relativistic kinematics. The code is set up to calculate energy spectra from neutrons and alpha particles produced in the D(d, n)3He and T(d, n)4He fusion reactions, but any two-body reaction can be simulated by including the corresponding cross section. The code has been thoroughly tested. The kinematics calculations have been benchmarked against the kinematics module of the ROOT Data Analysis Framework. Calculated neutron energy spectra have been validated against tabulated fusion reactivities and against an exact analytical expression for the thermonuclear fusion neutron spectrum, with good agreement. The DRESS code will be used as the core of a detailed synthetic diagnostic framework for neutron measurements at the JET and MAST tokamaks.

  10. Factors affecting calculation of L

    Science.gov (United States)

    Ciotola, Mark P.

    2001-08-01

    A detectable extraterrestrial civilization can be modeled as a series of successive regimes over time each of which is detectable for a certain proportion of its lifecycle. This methodology can be utilized to produce an estimate for L. Potential components of L include quantity of fossil fuel reserves, solar energy potential, quantity of regimes over time, lifecycle patterns of regimes, proportion of lifecycle regime is actually detectable, and downtime between regimes. Relationships between these components provide a means of calculating the lifetime of communicative species in a detectable state, L. An example of how these factors interact is provided, utilizing values that are reasonable given known astronomical data for components such as solar energy potential while existing knowledge about the terrestrial case is used as a baseline for other components including fossil fuel reserves, quantity of regimes over time, and lifecycle patterns of regimes, proportion of lifecycle regime is actually detectable, and gaps of time between regimes due to recovery from catastrophic war or resource exhaustion. A range of values is calculated for L when parameters are established for each component so as to determine the lowest and highest values of L. roadmap for SETI research at the SETI Institute for the next few decades. Three different approaches were identified. 1) Continue the radio search: build an affordable array incorporating consumer market technologies, expand the search frequency, and increase the target list to 100,000 stars. This array will also serve as a technology demonstration and enable the international radio astronomy community to realize an array that is a hundred times larger and capable (among other things) of searching a million stars. 2) Begin searches for very fast optical pulses from a million stars. 3) As Moore's Law delivers increased computational capacity, build an omni-directional sky survey array capable of detecting strong, transient

  11. Predicting catalysis: Understanding ammonia synthesis from first-principles calculations

    DEFF Research Database (Denmark)

    Hellmann, A.; Baerends, E.J.; Biczysko, M.

    2006-01-01

    . Furthermore, our studies provide new insight into several related fields, for instance, gas-phase and electrochemical ammonia synthesis. The success of predicting the outcome of a catalytic reaction from first-principles calculations supports our point of view that, in the future, theory will be a fully......Here, we give a full account of a large collaborative effort toward an atomic-scale understanding of modern industrial ammonia production over ruthenium catalysts. We show that overall rates of ammonia production can be determined by applying various levels of theory (including transition state...... for any given point along an industrial reactor, and the kinetic results can be integrated over the catalyst bed to determine the industrial reactor yield. We find that, given the present uncertainties, the rate of ammonia production is well-determined directly from our atomic-scale calculations...

  12. Selfconsistent calculations for hyperdeformed nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Molique, H.; Dobaczewski, J.; Dudek, J.; Luo, W.D. [Universite Louis Pasteur, Strasbourg (France)

    1996-12-31

    Properties of the hyperdeformed nuclei in the A {approximately} 170 mass range are re-examined using the self-consistent Hartree-Fock method with the SOP parametrization. A comparison with the previous predictions that were based on a non-selfconsistent approach is made. The existence of the {open_quotes}hyper-deformed shell closures{close_quotes} at the proton and neutron numbers Z=70 and N=100 and their very weak dependence on the rotational frequency is suggested; the corresponding single-particle energy gaps are predicted to play a role similar to that of the Z=66 and N=86 gaps in the super-deformed nuclei of the A {approximately} 150 mass range. Selfconsistent calculations suggest also that the A {approximately} 170 hyperdeformed structures have neglegible mass asymmetry in their shapes. Very importantly for the experimental studies, both the fission barriers and the {open_quotes}inner{close_quotes} barriers (that separate the hyperdeformed structures from those with smaller deformations) are predicted to be relatively high, up to the factor of {approximately}2 higher than the corresponding ones in the {sup 152}Dy superdeformed nucleus used as a reference.

  13. Visualisations and Calculations of Spaces

    DEFF Research Database (Denmark)

    Harty, Chris; Tryggestad, Kjell; Holm Jacobsen, Peter

    2015-01-01

    There is a complex relationship between the use of visualisations, and the production of both designs and physical spaces. In the case of hospitals, technical, aesthetic and practice-based requirements are incorporated into negotiations around facilities, layout and operation, and a plethora...... as the eventual users of the hospital. It reveals how visualisations are mobilised to form different and overlapping types of spaces. These are described as economic spaces, concerned with maintaining the economic budget frame, when the client organization is communicating the project and the design to healthcare...... practitioners at the hospital; design spaces, which include forms of user involvement, when the design team is developing and testing a methodology for engaging with medical staff; organizational spaces, concerning the connection between new physical spaces and healthcare professionals, when members...

  14. [Mucoprotein secretion in calculous gallbladder].

    Science.gov (United States)

    Fernández Lobato, R; Ortega, L; Balibrea, J L; Torres, A J; García-Calvo, M; Alvarez Sánchez, J A

    1994-05-01

    Secretion of mucoproteins or mucine (MP) have been studied as possible markers in several pathological conditions of the digestive tract, such us colonic polyposis or gastric dysplasia. In the gallbladder (VB) it has been established that form the core of crystalization for the calculi. A study in 100 gallbladders have been made based on the utility of the analysis of the qualitative and quantitative modifications of MP in lithogenesis. It was been determined by histochemical techniques the three main types of MP (neutral, low and high sulphated acid) to evaluate the alterations in the process of lithiasis. Results show a high production of the MP in VB with lithiasis, presenting in 97% a mixed composition of MP (48.9% of 2 types, and 3 types in 46%), without a predominating type in this pathology.

  15. FUEL HANDLING FACILITY CRITICALITY SAFETY CALCULATIONS

    Energy Technology Data Exchange (ETDEWEB)

    C.E. Sanders

    2005-06-30

    ;'Q-list'' (BSC 2003, p. A-6). Therefore, this design calculation is subject to the requirements of the ''Quality Assurance Requirements and Description'' (DOE 2004), even though the FHF itself has not yet been classified in the Q-list. Performance of the work scope as described and development of the associated technical product conform to the procedure AP-3.124, ''Design Calculations and Analyses''.

  16. Explosion Calculations of SN1087

    Science.gov (United States)

    Wooden, Diane H.; Morrison, David (Technical Monitor)

    1994-01-01

    Explosion calculations of SNT1987A generate pictures of Rayleigh-Taylor fingers of radioactive Ni-56 which are boosted to velocities of several thousand km/s. From the KAO observations of the mid-IR iron lines, a picture of the iron in the ejecta emerges which is consistent with the "frothy iron fingers" having expanded to fill about 50% of the metal-rich volume of the ejecta. The ratio of the nickel line intensities yields a high ionization fraction of greater than or equal to 0.9 in the volume associated with the iron-group elements at day 415, before dust condenses in the ejecta. From the KAO observations of the dust's thermal emission, it is deduced that when the grains condense their infrared radiation is trapped, their apparent opacity is gray, and they have a surface area filling factor of about 50%. The dust emission from SN1987A is featureless: no 9.7 micrometer silicate feature, nor PAH features, nor dust emission features of any kind are seen at any time. The total dust opacity increases with time even though the surface area filling factor and the dust/gas ratio remain constant. This suggests that the dust forms along coherent structures which can maintain their radial line-of-sight opacities, i.e., along fat fingers. The coincidence of the filling factor of the dust and the filling factor of the iron strongly suggests that the dust condenses within the iron, and therefore the dust is iron-rich. It only takes approximately 4 x 10(exp -4) solar mass of dust for the ejecta to be optically thick out to approximately 100 micrometers; a lower limit of 4 x 10(exp -4) solar mass of condensed grains exists in the metal-rich volume, but much more dust could be present. The episode of dust formation started at about 530 days and proceeded rapidly, so that by 600 days 45% of the bolometric luminosity was being emitted in the IR; by 775 days, 86% of the bolometric luminosity was being reradiated by the dust. Measurements of the bolometric luminosity of SN1987A from

  17. Hyperon production in collisions

    Indian Academy of Sciences (India)

    N G Kelkar; B K Jain

    2001-08-01

    We report on a study of the proton induced hyperon production reactions. We discuss the theoretical efforts made towards understanding the existing data and the uncertainties involved in the calculations. Our recent calculations of the missing mass spectra for the → K+ reaction which involve a proper coupled channel treatment of the final state interaction are presented. Significant differences in the results using different models of the hyperon–nucleon interaction are found.

  18. A New Approach for Calculating Vacuum Susceptibility

    Institute of Scientific and Technical Information of China (English)

    宗红石; 平加伦; 顾建中

    2004-01-01

    Based on the Dyson-Schwinger approach, we propose a new method for calculating vacuum susceptibilities. As an example, the vector vacuum susceptibility is calculated. A comparison with the results of the previous approaches is presented.

  19. Dynamics Calculation of Travel Wave Tube

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    During the dynamics calculating of the travel tube, we must obtain the field map in the tube. The field map can be affected by not only the beam loading, but also the attenuation coefficient. The calculation of the attenuation coefficient

  20. Iterative acceleration methods for Monte Carlo and deterministic criticality calculations

    Energy Technology Data Exchange (ETDEWEB)

    Urbatsch, T.J.

    1995-11-01

    If you have ever given up on a nuclear criticality calculation and terminated it because it took so long to converge, you might find this thesis of interest. The author develops three methods for improving the fission source convergence in nuclear criticality calculations for physical systems with high dominance ratios for which convergence is slow. The Fission Matrix Acceleration Method and the Fission Diffusion Synthetic Acceleration (FDSA) Method are acceleration methods that speed fission source convergence for both Monte Carlo and deterministic methods. The third method is a hybrid Monte Carlo method that also converges for difficult problems where the unaccelerated Monte Carlo method fails. The author tested the feasibility of all three methods in a test bed consisting of idealized problems. He has successfully accelerated fission source convergence in both deterministic and Monte Carlo criticality calculations. By filtering statistical noise, he has incorporated deterministic attributes into the Monte Carlo calculations in order to speed their source convergence. He has used both the fission matrix and a diffusion approximation to perform unbiased accelerations. The Fission Matrix Acceleration method has been implemented in the production code MCNP and successfully applied to a real problem. When the unaccelerated calculations are unable to converge to the correct solution, they cannot be accelerated in an unbiased fashion. A Hybrid Monte Carlo method weds Monte Carlo and a modified diffusion calculation to overcome these deficiencies. The Hybrid method additionally possesses reduced statistical errors.

  1. Pressure Vessel Calculations for VVER-440 Reactors

    Science.gov (United States)

    Hordósy, G.; Hegyi, Gy.; Keresztúri, A.; Maráczy, Cs.; Temesvári, E.; Vértes, P.; Zsolnay, É.

    2003-06-01

    Monte Carlo calculations were performed for a selected cycle of the Paks NPP Unit II to test a computational model. In the model the source term was calculated by the core design code KARATE and the neutron transport calculations were performed by the MCNP. Different forms of the source specification were examined. The calculated results were compared with measurements and in most cases fairly good agreement was found.

  2. New unifying procedure for PC index calculations.

    Science.gov (United States)

    Stauning, P.

    2012-04-01

    The Polar Cap (PC) index is a controversial topic within the IAGA scientific community. Since 1997 discussions of the validity of the index to be endorsed as an official IAGA index have ensued. Currently, there are now the three separate PC index versions constructed from the different procedures used at the three institutes: the Arctic and Antarctic Research Institute (AARI), the Danish Meteorological Institute (DMI), and the Danish National Space Institute (DTU Space). It is demonstrated in this presentation, that two consistent unifying procedures can be built from the best elements of the three different versions. One procedure uses a set of coefficients aimed at the calculation of final PC index values to be accepted by IAGA. The other procedure uses coefficients aimed at on-line real-time production of preliminary PC index values for Space Weather monitoring applications. For each of the two cases the same procedure is used for the northern (PCN) and the southern (PCS) polar cap indices, and the derived PCN and PCS coefficients are similar.

  3. Recommendations for Insulin Dose Calculator Risk Management

    Science.gov (United States)

    2014-01-01

    Several studies have shown the usefulness of an automated insulin dose bolus advisor (BA) in achieving improved glycemic control for insulin-using diabetes patients. Although regulatory agencies have approved several BAs over the past decades, these devices are not standardized in their approach to dosage calculation and include many features that may introduce risk to patients. Moreover, there is no single standard of care for diabetes worldwide and no guidance documents for BAs, specifically. Given the emerging and more stringent regulations on software used in medical devices, the approval process is becoming more difficult for manufacturers to navigate, with some manufacturers opting to remove BAs from their products altogether. A comprehensive literature search was performed, including publications discussing: diabetes BA use and benefit, infusion pump safety and regulation, regulatory submissions, novel BAs, and recommendations for regulation and risk management of BAs. Also included were country-specific and international guidance documents for medical device, infusion pump, medical software, and mobile medical application risk management and regulation. No definitive worldwide guidance exists regarding risk management requirements for BAs, specifically. However, local and international guidance documents for medical devices, infusion pumps, and medical device software offer guidance that can be applied to this technology. In addition, risk management exercises that are algorithm-specific can help prepare manufacturers for regulatory submissions. This article discusses key issues relevant to BA use and safety, and recommends risk management activities incorporating current research and guidance. PMID:24876550

  4. Ab initio calculation of the Hoyle state

    CERN Document Server

    Epelbaum, Evgeny; Lee, Dean; Meißner, Ulf-G

    2011-01-01

    The Hoyle state plays a crucial role in the hydrogen burning of stars heavier than our sun and in the production of carbon and other elements necessary for life. This excited state of the carbon-12 nucleus was postulated by Hoyle^{1} as a necessary ingredient for the fusion of three alpha particles to produce carbon at stellar temperatures. Although the Hoyle state was seen experimentally more than a half century ago^{2,3}, nuclear theorists have not yet uncovered the nature of this state from first principles. In this letter we report the first ab initio calculation of the low-lying states of carbon-12 using supercomputer lattice simulations and a theoretical framework known as effective field theory. In addition to the ground state and excited spin-2 state, we find a resonance at -85(3) MeV with all of properties of the Hoyle state and in agreement with the experimentally observed energy. These lattice simulations provide insight into the structure of this unique state and new clues as to the amount of fine...

  5. Depletion calculations for the McClellan Nuclear Radiation Center.

    Energy Technology Data Exchange (ETDEWEB)

    Klann, R. T.; Newell, D. L.

    1997-12-08

    Depletion calculations have been performed for the McClellan reactor history from January 1990 through August 1996. A database has been generated for continuing use by operations personnel which contains the isotopic inventory for all fuel elements and fuel-followed control rods maintained at McClellan. The calculations are based on the three-dimensional diffusion theory code REBUS-3 which is available through the Radiation Safety Information Computational Center (RSICC). Burnup-dependent cross-sections were developed at zero power temperatures and full power temperatures using the WIMS code (also available through RSICC). WIMS is based on discretized transport theory to calculate the neutron flux as a function of energy and position in a one-dimensional cell. Based on the initial depletion calculations, a method was developed to allow operations personnel to perform depletion calculations and update the database with a minimal amount of effort. Depletion estimates and calculations can be performed by simply entering the core loading configuration, the position of the control rods at the start and end of cycle, the reactor power level, the duration of the reactor cycle, and the time since the last reactor cycle. The depletion and buildup of isotopes of interest (heavy metal isotopes, erbium isotopes, and fission product poisons) are calculated for all fuel elements and fuel-followed control rods in the MNRC inventory. The reactivity loss from burnup and buildup of fission product poisons and the peak xenon buildup after shutdown are also calculated. The reactivity loss from going from cold zero power to hot full power can also be calculated by using the temperature-dependent, burnup-dependent cross-sections. By calculating all of these reactivity effects, operations personnel are able to estimate the total excess reactivity necessary to run the reactor for the given cycle. This method has also been used to estimate the worth of individual control rods. Using this

  6. A general formalism for phase space calculations

    Science.gov (United States)

    Norbury, John W.; Deutchman, Philip A.; Townsend, Lawrence W.; Cucinotta, Francis A.

    1988-01-01

    General formulas for calculating the interactions of galactic cosmic rays with target nuclei are presented. Methods for calculating the appropriate normalization volume elements and phase space factors are presented. Particular emphasis is placed on obtaining correct phase space factors for 2-, and 3-body final states. Calculations for both Lorentz-invariant and noninvariant phase space are presented.

  7. Mathematical Creative Activity and the Graphic Calculator

    Science.gov (United States)

    Duda, Janina

    2011-01-01

    Teaching mathematics using graphic calculators has been an issue of didactic discussions for years. Finding ways in which graphic calculators can enrich the development process of creative activity in mathematically gifted students between the ages of 16-17 is the focus of this article. Research was conducted using graphic calculators with…

  8. Decimals, Denominators, Demons, Calculators, and Connections

    Science.gov (United States)

    Sparrow, Len; Swan, Paul

    2005-01-01

    The authors provide activities for overcoming some fraction misconceptions using calculators specially designed for learners in primary years. The writers advocate use of the calculator as a way to engage children in thinking about mathematics. By engaging with a calculator as part of mathematics learning, children are learning about and using the…

  9. Operational source receptor calculations for large agglomerations

    Science.gov (United States)

    Gauss, Michael; Shamsudheen, Semeena V.; Valdebenito, Alvaro; Pommier, Matthieu; Schulz, Michael

    2016-04-01

    For Air quality policy an important question is how much of the air pollution within an urbanized region can be attributed to local sources and how much of it is imported through long-range transport. This is critical information for a correct assessment of the effectiveness of potential emission measures. The ratio between indigenous and long-range transported air pollution for a given region depends on its geographic location, the size of its area, the strength and spatial distribution of emission sources, the time of the year, but also - very strongly - on the current meteorological conditions, which change from day to day and thus make it important to provide such calculations in near-real-time to support short-term legislation. Similarly, long-term analysis over longer periods (e.g. one year), or of specific air quality episodes in the past, can help to scientifically underpin multi-regional agreements and long-term legislation. Within the European MACC projects (Monitoring Atmospheric Composition and Climate) and the transition to the operational CAMS service (Copernicus Atmosphere Monitoring Service) the computationally efficient EMEP MSC-W air quality model has been applied with detailed emission data, comprehensive calculations of chemistry and microphysics, driven by high quality meteorological forecast data (up to 96-hour forecasts), to provide source-receptor calculations on a regular basis in forecast mode. In its current state, the product allows the user to choose among different regions and regulatory pollutants (e.g. ozone and PM) to assess the effectiveness of fictive emission reductions in air pollutant emissions that are implemented immediately, either within the agglomeration or outside. The effects are visualized as bar charts, showing resulting changes in air pollution levels within the agglomeration as a function of time (hourly resolution, 0 to 4 days into the future). The bar charts not only allow assessing the effects of emission

  10. Research on Nuclear Reaction Network Equation for Fission Product Nuclides

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    Nuclear Reaction Network Equation calculation system for fission product nuclides was developed. With the system, the number of the fission product nuclides at different time can be calculated in the different neutron field intensity and neutron energy spectra

  11. HOW TO CALCULATE THE ENVIRONMENTAL COSTS? CASE COMPANY GRAFICA CIENFUEGOS

    Directory of Open Access Journals (Sweden)

    Keitel, Becerra

    2011-01-01

    Full Text Available The world urgently needs to protect the environment, many companies and organizations devote huge resources to reach that goal and achieve sustainable development as the highest standard of achievement for any country or organization. It then becomes imperative to determine how much the companies spend on the environment, taking into account that the Entities have an implicit contract with society and the environment, the product of the resources used and waste and waste pouring, which is why one needs to calculate and record the environmental costs of products to enhance the environmental management of the entity and thus promote an excellent decision-making. The following research seeks a procedure which allows solving this problem, making its composition with the use of various techniques within which highlights the environmental checklists and product life cycle, which also allows knowing separately as each process and product impacts the environment.

  12. Calculation Tool for Determining the Net Energy Gain

    DEFF Research Database (Denmark)

    Laustsen, Jacob Birck; Svendsen, Svend

    2002-01-01

    . A proper and direct way to describe the energy performance of windows is by the net energy gain, E, which expresses the energy balance for the window. It is defined as the solar heat gain transmitted in minus the heat loss transmitted out through the window during the heating season. The net energy gain...... for simple and accurate methods to determine and compare the energy performance of different window products. When choosing windows for new buildings or retrofitting a calculation tool that in a simple way determines the net energy gain from the specific windows in the actual building will ease the selection...... of the best window solution. Such a tool combined with a database with window products can make calculations of the heat loss or energy demand corresponding to the requirements in the new building code easier and more correct. In the paper, methods to determine energy performance data and the net energy gain...

  13. Dietary burden calculations relating to fish metabolism studies.

    Science.gov (United States)

    Schlechtriem, Christian; Pucher, Johannes; Michalski, Britta

    2016-03-30

    Fish farming is increasingly dependent on plant commodities as a source of feed leading to an increased risk for pesticide residues in aquaculture diets and consequently their transfer into aquaculture food products. The European pesticide regulation requires fish metabolism and fish feeding studies where residues in fish feed exceed 0.1 mg kg(-1) of the total diet (dry weight basis) to enable the setting of appropriate maximum residue levels in fish commodities. Fish dietary burden calculation is therefore an important prerequisite to decide on further experimental testing as part of the consumer risk assessment. In this review, the different aquaculture production systems are compared with regard to their specific feeding practices and the principles of dietary burden calculation are described.

  14. User guide – COE Calculation Tool for Wave Energy Converters

    DEFF Research Database (Denmark)

    Chozas, Julia Fernandez; Kofoed, Jens Peter; Jensen, Niels Ejner Helstrup

    Aalborg University together with Energinet.dk and Julia F. Chozas Consulting Engineer, have released a freely available online spreadsheet to evaluate the Levelised Cost of Energy (LCOE) for wave energy projects. The open-access tool calculates the LCOE based on the power production of a Wave...... Energy Converter (WEC) at a particular location. Production data may derive from laboratory testing, numerical modelling or from sea trials. The tool has been developed as a transparent and simple model that evaluates WEC’s economic feasibility in a range of locations, while scaling WEC’s features...

  15. Calculating kinetics parameters and reactivity changes with continuous-energy Monte Carlo

    Energy Technology Data Exchange (ETDEWEB)

    Kiedrowski, Brian C [Los Alamos National Laboratory; Brown, Forrest B [Los Alamos National Laboratory; Wilson, Paul [UNIV. WISCONSIN

    2009-01-01

    The iterated fission probability interpretation of the adjoint flux forms the basis for a method to perform adjoint weighting of tally scores in continuous-energy Monte Carlo k-eigenvalue calculations. Applying this approach, adjoint-weighted tallies are developed for two applications: calculating point reactor kinetics parameters and estimating changes in reactivity from perturbations. Calculations are performed in the widely-used production code, MCNP, and the results of both applications are compared with discrete ordinates calculations, experimental measurements, and other Monte Carlo calculations.

  16. Nuclear forces and ab initio calculations of atomic nuclei

    OpenAIRE

    Meißner, Ulf-G.

    2014-01-01

    Nuclear forces and the nuclear many-body problem have been some of Gerry Brown's main topics in his so productive life as a theoretical physicist. In this talk, I outline how Gerry's work laid the foundations of the modern theory of nuclear forces and ab initio calculations of atomic nuclei. I also present some recent developments obtained in the framework of nuclear lattice simulations.

  17. Tariff Basic Calculation. A program for the calculation of the National Basic Tariff. Tarief Basis Calculatie. Een programma voor de berekening van het LBT

    Energy Technology Data Exchange (ETDEWEB)

    Verhagen, L.

    1988-12-01

    Within the framework of the project 'Tariff systems and price forming of electric power', a spread-sheet program has been developed to calculate the costs of the electric power supply. The name of this program, written in Symphony 2.0 (English), is Tariff Basic Calculation (TBC). Based on the production data of the public power supply this program calculates the costs of the supply and derivative National Basic Tariffs elements. The program fits in with the Chronological Simulation Model (CSM) of the Energy Study Centre of the Netherlands Energy Research Foundation ECN. All necessary data can be calculated with CSM. 8 figs.

  18. COMPARATIVE ANALYSIS FOR THE PRACTICAL PRACTICE OF COST CALCULATION

    Directory of Open Access Journals (Sweden)

    Veronika Fenyves

    2015-07-01

    Full Text Available Basic topic of our treatise is to introduce the system of cost calculation. Our reason for choice of this topic is that, in the economic environment of today, it is very important for a production company to have the most possible accurate knowledge about costs of the activity. This informational demand emerges in case of more and more managing entities since the cost cutback is often the only tool for retaining the competitiveness – of course, within certain frameworks. There is a frequent question among the corporate owners and management: “How could our costs be cut – even if only to a small extent?” One of the devices is the moderation of the activity costs, in order to do this it is essential to know how much the production of the unit of product costs for the company, that is to say, how many its first cost is. Our goal is to aim the attention at values and importance of the management information system as well as information obtained during determination of the cost, the differences in results of the individual cost calculation methods and the reasons of differences. In addition, our intention was to know and acquaint a complex cost calculation procedure in depth during which we endeavoured to form a system theory of a kind.

  19. Mathematical Model and Programming in VBA Excel for Package Calculation

    Directory of Open Access Journals (Sweden)

    João Daniel Reis Lessa

    2016-05-01

    Full Text Available The industrial logistics is a fundamental pillar for the survival of companies in the actual increasingly competitive market. It is not exclusively about controlling the flow of external material between suppliers and the company, but for developing a detailed study of how to plan, control, handle and package those materials as well. Logistics activities must ensure the maximum efficiency in using corporate resources once they do not add value to the final product. The creation of a logistic plan, for each piece of the company’s production, has to adapt the demand parameters, seasonal or not, in the timeline. Thus, the definition of packaging (transportation and consumption must adjust in accordance with the demand, in order to allow the logistic planning to work, constantly, with order of economy batches. The packaging calculation for each part in every demand can become well complicated due to the large amount of parts in the production process. Automating the calculation process for choosing the right package for each piece is an effective method in logistics planning. This article will expose a simple and practical mathematical model for automating the packaging calculation and a logic program, created in Visual Basic language in the Excel software, used for creating graphic designs that show how the packages are being filled.

  20. Optimizing continuous miner coal production systems based on production and production cost

    Energy Technology Data Exchange (ETDEWEB)

    Chugh, Y.P.; Patwardhan, A.; Moharana, A. [Southern Illinois University, Carbondale, IL (United States). Department of Mining and Minerals Resources Engineering

    2005-07-01

    The purpose is to develop a face production cost model for room-and-pillar mining, to integrate the model with SIU-Suboleski production (SSP) modeling software, and to show that combining face production cost with ROM production provides a better indicator for comparing equipment costs. Several production planning scenarios were modeled. An SSP model was developed that incorporates capital, operating, and production costs for each option and calculates an estimate of face production cost on a raw coal basis. 6 refs., 5 figs., 6 tabs.

  1. Microscopic Calculations of 240Pu Fission

    Energy Technology Data Exchange (ETDEWEB)

    Younes, W; Gogny, D

    2007-09-11

    Hartree-Fock-Bogoliubov calculations have been performed with the Gogny finite-range effective interaction for {sup 240}Pu out to scission, using a new code developed at LLNL. A first set of calculations was performed with constrained quadrupole moment along the path of most probable fission, assuming axial symmetry but allowing for the spontaneous breaking of reflection symmetry of the nucleus. At a quadrupole moment of 345 b, the nucleus was found to spontaneously scission into two fragments. A second set of calculations, with all nuclear moments up to hexadecapole constrained, was performed to approach the scission configuration in a controlled manner. Calculated energies, moments, and representative plots of the total nuclear density are shown. The present calculations serve as a proof-of-principle, a blueprint, and starting-point solutions for a planned series of more comprehensive calculations to map out a large set of scission configurations, and the associated fission-fragment properties.

  2. Calculation of the Moments of Polygons.

    Science.gov (United States)

    1987-06-01

    2.1) VowUK-1N0+IDIO TUUNTKPlNO.YKNO C Calculate AREA YKXK-YKPIND*IKNO-YKNO*XKP1NO AIKA-hEEA4YKXX C Calculate ACEIT ACENT (1)- ACEIT ( 1) VSUNI4TKIK... ACEIT (2) -ACENT(2) .VSUNYKXK C Calculate SECHON 3ECNON (1) -SCNON( 1) TKXK*(XX~PIdO*VSUNXKKO**2) SECNO(2) -SEn N(2) .yrf* (XKP114*YKP1MO.XKO*YXO+VB1hi

  3. Wear Calculation for Sliding Friction Pairs

    Science.gov (United States)

    Springis, G.; Rudzitis, J.; Avisane, A.; Leitans, A.

    2014-04-01

    One of the principal objectives of modern production process is the improvement of quality level; this means also guaranteeing the required service life of different products and increase in their wear resistance. To perform this task, prediction of service life of fitted components is of crucial value, since with the development of production technologies and measuring devices it is possible to determine with ever increasing precision the data to be used also in analytical calculations. Having studied the prediction theories of wear process that have been developed in the course of time and can be classified into definite groups one can state that each of them has shortcomings that might strongly impair the results thus making unnecessary theoretical calculations. The proposed model for wear calculation is based on the application of theories from several branches of science to the description of 3D surface micro-topography, assessing the material's physical and mechanical characteristics, substantiating the regularities in creation of the material particles separated during the wear process and taking into consideration definite service conditions of fittings. ums Mūsdienu ražošanas procesa viens no pamatmērķiem ir produkcijas kvalitātes līmeņa paaugstināšana, tas nozīmē arī dažādu izstrādājumu nepieciešamā kalpošanas laika nodrošināšanu un nodilumizturības palielināšanu. Svarīga loma šī uzdevuma sasniegšanā ir salāgojamo detaļu kalpošanas laika prognozēšanai, kas ir ļoti aktuāls jautājums, jo attīstoties dažādām ražošanas, kā arī mēriekārtu tehnoloģijām, kļūst iespējams arvien precīzāk noteikt nepieciešamos datus, kuri vēlāk tiek izmantoti arī analītiskajos aprēķinos. Apskatot laika gaitā izstrādātās dilšanas procesa prognozēšanas teorijas, kuras var klasificēt, apkopojot tās noteiktās grupās, ņemot par pamatu līdzīgas teorētiskās pieejas, jāsaka, ka katrai no tām piemīt da

  4. Surface Tension Calculation of Undercooled Alloys

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Based on the Butler equation and extrapolated thermodynamic data of undercooled alloys from those of liquid stable alloys, a method for surface tension calculation of undercooled alloys is proposed. The surface tensions of liquid stable and undercooled Ni-Cu (xNi=0.42) and Ni-Fe (xNi=0.3 and 0.7) alloys are calculated using STCBE (Surface Tension Calculation based on Butler Equation) program. The agreement between calculated values and experimental data is good enough, and the temperature dependence of the surface tension can be reasonable down to 150-200 K under the liquid temperature of the alloys.

  5. MATNORM: Calculating NORM using composition matrices

    Science.gov (United States)

    Pruseth, Kamal L.

    2009-09-01

    This paper discusses the implementation of an entirely new set of formulas to calculate the CIPW norm. MATNORM does not involve any sophisticated programming skill and has been developed using Microsoft Excel spreadsheet formulas. These formulas are easy to understand and a mere knowledge of the if-then-else construct in MS-Excel is sufficient to implement the whole calculation scheme outlined below. The sequence of calculation used here differs from that of the standard CIPW norm calculation, but the results are very similar. The use of MS-Excel macro programming and other high-level programming languages has been deliberately avoided for simplicity.

  6. Pile Load Capacity – Calculation Methods

    Directory of Open Access Journals (Sweden)

    Wrana Bogumił

    2015-12-01

    Full Text Available The article is a review of the current problems of the foundation pile capacity calculations. The article considers the main principles of pile capacity calculations presented in Eurocode 7 and other methods with adequate explanations. Two main methods are presented: α – method used to calculate the short-term load capacity of piles in cohesive soils and β – method used to calculate the long-term load capacity of piles in both cohesive and cohesionless soils. Moreover, methods based on cone CPTu result are presented as well as the pile capacity problem based on static tests.

  7. Fast calculation of the maximum power point of photovoltaic generators under partial shading

    OpenAIRE

    Carlos Andres Ramos-Paja; Luz Adriana Trejos-Grisales; Javier Herrera-Murcia

    2016-01-01

    This paper presents a method to calculate the energy production of photovoltaic generators considering partial shading or mismatched conditions. The proposed method is based on the complete one-diode model including the bypass diode in its exponential form, where the current and voltage values of the modules composing the photovoltaic panel array are calculated without using the Lambert-W function. In addition, the method introduces a procedure to calculate the vicinity of the maximum power p...

  8. Bushland Reference ET Calculator with QA/QC capabilities and iPhone/iPad application

    Science.gov (United States)

    Accurate daily reference evapotranspiration (ET) values are needed to estimate crop water demand for irrigation management and hydrologic modeling purposes. The USDA-ARS Conservation and Production Research Laboratory at Bushland, Texas developed the Bushland Reference ET (BET) Calculator for calcul...

  9. Study on comparison of different methods to calculating sensitivity index of Jensen model

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Real coded Accelerating Genetic Algorithm (RAGA), Chaos Algorithm (CA) were used to solve the sensitivity index of Jensen model which is one of models of crop water production function. After comparing with the outcome of Least Square Regression (LSR), the result showed that RAGA not only had high accuracy and more effective, but also saved calculating time. The authors provides new effective methods for calculating index of crop water production function.

  10. Entropy Production of Stars

    Directory of Open Access Journals (Sweden)

    Leonid M. Martyushev

    2015-06-01

    Full Text Available The entropy production (inside the volume bounded by a photosphere of main-sequence stars, subgiants, giants, and supergiants is calculated based on B–V photometry data. A non-linear inverse relationship of thermodynamic fluxes and forces as well as an almost constant specific (per volume entropy production of main-sequence stars (for 95% of stars, this quantity lies within 0.5 to 2.2 of the corresponding solar magnitude is found. The obtained results are discussed from the perspective of known extreme principles related to entropy production.

  11. Atomic Structure Calculations for Neutral Oxygen

    OpenAIRE

    Norah Alonizan; Rabia Qindeel; Nabil Ben Nessib

    2016-01-01

    Energy levels and oscillator strengths for neutral oxygen have been calculated using the Cowan (CW), SUPERSTRUCTURE (SS), and AUTOSTRUCTURE (AS) atomic structure codes. The results obtained with these atomic codes have been compared with MCHF calculations and experimental values from the National Institute of Standards and Technology (NIST) database.

  12. 10 CFR 766.102 - Calculation methodology.

    Science.gov (United States)

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Calculation methodology. 766.102 Section 766.102 Energy DEPARTMENT OF ENERGY URANIUM ENRICHMENT DECONTAMINATION AND DECOMMISSIONING FUND; PROCEDURES FOR SPECIAL ASSESSMENT OF DOMESTIC UTILITIES Procedures for Special Assessment § 766.102 Calculation methodology....

  13. Calculation of cohesive energy of actinide metals

    Institute of Scientific and Technical Information of China (English)

    钱存富; 陈秀芳; 余瑞璜; 耿平; 段占强

    1997-01-01

    According to empirical electron theory of solids and molecules (EET), an equation for calculating the cohesive energy of actinide metals is given, the cohesive energy of 9 actinide metals with known crystal structure is calculated, which is identical with the experimental values on the whole, and the cohesive energy of 6 actinide metals with unknown crystal structure is forecast.

  14. Calculation reliability in vehicle accident reconstruction.

    Science.gov (United States)

    Wach, Wojciech

    2016-06-01

    The reconstruction of vehicle accidents is subject to assessment in terms of the reliability of a specific system of engineering and technical operations. In the article [26] a formalized concept of the reliability of vehicle accident reconstruction, defined using Bayesian networks, was proposed. The current article is focused on the calculation reliability since that is the most objective section of this model. It is shown that calculation reliability in accident reconstruction is not another form of calculation uncertainty. The calculation reliability is made dependent on modeling reliability, adequacy of the model and relative uncertainty of calculation. All the terms are defined. An example is presented concerning the analytical determination of the collision location of two vehicles on the road in the absence of evidential traces. It has been proved that the reliability of this kind of calculations generally does not exceed 0.65, despite the fact that the calculation uncertainty itself can reach only 0.05. In this example special attention is paid to the analysis of modeling reliability and calculation uncertainty using sensitivity coefficients and weighted relative uncertainty.

  15. Calculating "g" from Acoustic Doppler Data

    Science.gov (United States)

    Torres, Sebastian; Gonzalez-Espada, Wilson J.

    2006-01-01

    Traditionally, the Doppler effect for sound is introduced in high school and college physics courses. Students calculate the perceived frequency for several scenarios relating a stationary or moving observer and a stationary or moving sound source. These calculations assume a constant velocity of the observer and/or source. Although seldom…

  16. Efficient Calculation of Earth Penetrating Projectile Trajectories

    Science.gov (United States)

    2006-09-01

    CALCULATION OF EARTH PENETRATING PROJECTILE TRAJECTORIES by Daniel F . Youch September 2006 Thesis Advisor: Joshua Gordis... Daniel F . Youch 5. FUNDING NUMBERS 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Naval Postgraduate School Monterey, CA 93943-5000 8. PERFORMING...EFFICIENT CALCULATION OF EARTH PENETRATING PROJECTILE TRAJECTORIES Daniel F . Youch Lieutenant Commander, United States Navy B.S., Temple

  17. Calculating Electromagnetic Fields Of A Loop Antenna

    Science.gov (United States)

    Schieffer, Mitchell B.

    1987-01-01

    Approximate field values computed rapidly. MODEL computer program developed to calculate electromagnetic field values of large loop antenna at all distances to observation point. Antenna assumed to be in x-y plane with center at origin of coordinate system. Calculates field values in both rectangular and spherical components. Also solves for wave impedance. Written in MicroSoft FORTRAN 77.

  18. New tool for standardized collector performance calculations

    DEFF Research Database (Denmark)

    Perers, Bengt; Kovacs, Peter; Olsson, Marcus;

    2011-01-01

    A new tool for standardized calculation of solar collector performance has been developed in cooperation between SP Technical Research Institute Sweden, DTU Denmark and SERC Dalarna University. The tool is designed to calculate the annual performance for a number of representative cities in Europe...

  19. Calculation of Temperature Rise in Calorimetry.

    Science.gov (United States)

    Canagaratna, Sebastian G.; Witt, Jerry

    1988-01-01

    Gives a simple but fuller account of the basis for accurately calculating temperature rise in calorimetry. Points out some misconceptions regarding these calculations. Describes two basic methods, the extrapolation to zero time and the equal area method. Discusses the theoretical basis of each and their underlying assumptions. (CW)

  20. Calculation of LDL apoB

    NARCIS (Netherlands)

    Sniderman, A.D.; Tremblay, A.J.; Graaf, J. de; Couture, P.

    2014-01-01

    OBJECTIVES: This study tests the validity of the Hattori formula to calculate LDL apoB based on plasma lipids and total apoB. METHODS: In 2178 patients in a tertiary care lipid clinic, LDL apoB calculated as suggested by Hattori et al. was compared to directly measured LDL apoB isolated by ultracent

  1. Investment Return Calculations and Senior School Mathematics

    Science.gov (United States)

    Fitzherbert, Richard M.; Pitt, David G. W.

    2010-01-01

    The methods for calculating returns on investments are taught to undergraduate level business students. In this paper, the authors demonstrate how such calculations are within the scope of senior school students of mathematics. In providing this demonstration the authors hope to give teachers and students alike an illustration of the power and the…

  2. 40 CFR 1065.850 - Calculations.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 32 2010-07-01 2010-07-01 false Calculations. 1065.850 Section 1065.850 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR POLLUTION CONTROLS ENGINE-TESTING PROCEDURES Testing With Oxygenated Fuels § 1065.850 Calculations. Use the...

  3. Teaching Discrete Mathematics with Graphing Calculators.

    Science.gov (United States)

    Masat, Francis E.

    Graphing calculator use is often thought of in terms of pre-calculus or continuous topics in mathematics. This paper contains examples and activities that demonstrate useful, interesting, and easy ways to use a graphing calculator with discrete topics. Examples are given for each of the following topics: functions, mathematical induction and…

  4. Using Calculators in Mathematics 12. Student Text.

    Science.gov (United States)

    Rising, Gerald R.; And Others

    This student textbook is designed to incorporate programable calculators in grade 12 mathematics. The seven chapters contained in this document are: (1) Using Calculators in Mathematics; (2) Sequences, Series, and Limits; (3) Iteration, Mathematical Induction, and the Binomial Theorem; (4) Applications of the Fundamental Counting Principle; (5)…

  5. 46 CFR 154.520 - Piping calculations.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Piping calculations. 154.520 Section 154.520 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS... Process Piping Systems § 154.520 Piping calculations. A piping system must be designed to meet...

  6. Data base to compare calculations and observations

    Energy Technology Data Exchange (ETDEWEB)

    Tichler, J.L.

    1985-01-01

    Meteorological and climatological data bases were compared with known tritium release points and diffusion calculations to determine if calculated concentrations could replace measure concentrations at the monitoring stations. Daily tritium concentrations were monitored at 8 stations and 16 possible receptors. Automated data retrieval strategies are listed. (PSB)

  7. 76 FR 71431 - Civil Penalty Calculation Methodology

    Science.gov (United States)

    2011-11-17

    ... Uniform Fine Assessment (UFA) algorithm, which FMCSA currently uses for calculation of civil penalties. UFA takes into account the statutory penalty factors under 49 U.S.C. 521(b)(2)(D). The evaluation will... will impose a minimum civil penalty that is calculated by UFA. In many cases involving small...

  8. Heat Calculation of Borehole Heat Exchangers

    Directory of Open Access Journals (Sweden)

    S. Filatov

    2013-01-01

    Full Text Available The paper considers a heat calculation method of borehole heat exchangers (BHE which can be used for designing and optimization of their design values and included in a comprehensive mathematical model of heat supply system with a heat pump based on utilization of low-grade heat from the ground.The developed method of calculation is based on the reduction of the problem general solution pertaining to heat transfer in BHE with due account of heat transfer between top-down and bottom-up flows of heat carrier to the solution for a boundary condition of one kind on the borehole wall. Used the a method of electrothermal analogy has been used for a calculation of the thermal resistance and  the required shape factors for calculation of  a borehole filler thermal resistance have been obtained numerically. The paper presents results of heat calculation of various BHE designs in accordance with the proposed method.

  9. Considering Oil Production Variance as an Indicator of Peak Production

    Science.gov (United States)

    2010-06-07

    geophysicist Dr. M. King Hubbert mathematically calculated that the United States would reach its maximum crude oil production capacity in 1970. His...Jean Laherrere) have presented data that indicate all nations together will reach collective maximum crude oil production capacity between 2004 and

  10. Calculations of thermodynamic data from spectroscopic data for oxides for cerium and neodymium

    Energy Technology Data Exchange (ETDEWEB)

    Sunder, S.; Lemire, R.J

    2000-01-01

    A code to calculate thermodynamic functions of an ideal gas (at 1 atm pressure) from its spectroscopic data using statistical mechanics methods was commissioned, tested and verified. The code was used to calculate the thermodynamic functions for three fission-product oxides, Ce0{sub 2}, Ce{sub 2}0{sub 2} and NdO{sub 2}, for temperatures between 100 K and 3000 K and 0.1 MPa. High-temperature thermodynamic data of fission products are needed to calculate the source terms under accident conditions using fuel safety codes such as CHMWRK and F*A*C*T. (author)

  11. Ab initio Sternheimer-GW method for quasiparticle calculations

    Science.gov (United States)

    Lambert, Henry; Giustino, Feliciano

    2014-03-01

    The GW method has emerged as the standard computational tool for investigating electronic excitations in bulk and nanoscale systems. Recently significant efforts have been devoted to extending the range of applicability of the GW method. With this aim, Ref. introduced the Sternheimer-GW method, reformulating the standard GW approach so that no unoccupied electronic states are required in the calculations. Here we present the implementation of the Sternheimer-GW method using planewaves and norm-conserving pseudopotentials. In our method we calculate the complete position- and energy-dependent GW self-energy operator, and as a by-product we obtain the entire G0W0 quasiparticle spectral function. We have validated our method by calculating the quasiparticle band structures of standard semiconductors and insulators (Si, SiC, diamond, LiCl) and by comparing the results with previous GW calculations. This method is currently being used for investigating the electronic structure of novel materials of reduced dimensionality. This work was supported by the ERC under the EU FP7/ERC Grant No. 239578 and by the UK EPSRC Grant No. EP/J009857/1.

  12. Neutron dosimetry and damage calculations for the HFIR-JP-9, -12, and -15 irradiations

    Energy Technology Data Exchange (ETDEWEB)

    Greenwood, L.R. [Pacific Northwest National Lab., Richland, WA (United States); Baldwin, C.A. [Oak Ridge National Lab., TN (United States)

    1998-03-01

    Neutron fluence measurements and radiation damage calculations are reported for the joint US-Japanese experiments JP-9, -12, and -15. These experiments were conducted in target positions of the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL) for a period of nearly four years. The maximum neutron fluence at midplane was 2.6 {times} 10{sup 23} n/cm{sup 2} (7.1 {times} 10{sup 22} n/cm{sup 2} above 0.1 MeV), resulting in about 60 dpa and 3900 appm helium in type 316 stainless steel.

  13. Ti-84 Plus graphing calculator for dummies

    CERN Document Server

    McCalla

    2013-01-01

    Get up-to-speed on the functionality of your TI-84 Plus calculator Completely revised to cover the latest updates to the TI-84 Plus calculators, this bestselling guide will help you become the most savvy TI-84 Plus user in the classroom! Exploring the standard device, the updated device with USB plug and upgraded memory (the TI-84 Plus Silver Edition), and the upcoming color screen device, this book provides you with clear, understandable coverage of the TI-84's updated operating system. Details the new apps that are available for download to the calculator via the USB cabl

  14. Energy of plate tectonics calculation and projection

    Directory of Open Access Journals (Sweden)

    N. H. Swedan

    2013-02-01

    Full Text Available Mathematics and observations suggest that the energy of the geological activities resulting from plate tectonics is equal to the latent heat of melting, calculated at mantle's pressure, of the new ocean crust created at midocean ridges following sea floor spreading. This energy varies with the temperature of ocean floor, which is correlated with surface temperature. The objective of this manuscript is to calculate the force that drives plate tectonics, estimate the energy released, verify the calculations based on experiments and observations, and project the increase of geological activities with surface temperature rise caused by climate change.

  15. Assessment of seismic margin calculation methods

    Energy Technology Data Exchange (ETDEWEB)

    Kennedy, R.P.; Murray, R.C.; Ravindra, M.K.; Reed, J.W.; Stevenson, J.D.

    1989-03-01

    Seismic margin review of nuclear power plants requires that the High Confidence of Low Probability of Failure (HCLPF) capacity be calculated for certain components. The candidate methods for calculating the HCLPF capacity as recommended by the Expert Panel on Quantification of Seismic Margins are the Conservative Deterministic Failure Margin (CDFM) method and the Fragility Analysis (FA) method. The present study evaluated these two methods using some representative components in order to provide further guidance in conducting seismic margin reviews. It is concluded that either of the two methods could be used for calculating HCLPF capacities. 21 refs., 9 figs., 6 tabs.

  16. Program Calculates Current Densities Of Electronic Designs

    Science.gov (United States)

    Cox, Brian

    1996-01-01

    PDENSITY computer program calculates current densities for use in calculating power densities of electronic designs. Reads parts-list file for given design, file containing current required for each part, and file containing size of each part. For each part in design, program calculates current density in units of milliamperes per square inch. Written by use of AWK utility for Sun4-series computers running SunOS 4.x and IBM PC-series and compatible computers running MS-DOS. Sun version of program (NPO-19588). PC version of program (NPO-19171).

  17. Hamming generalized corrector for reactivity calculation

    Energy Technology Data Exchange (ETDEWEB)

    Suescun-Diaz, Daniel; Ibarguen-Gonzalez, Maria C.; Figueroa-Jimenez, Jorge H. [Pontificia Universidad Javeriana Cali, Cali (Colombia). Dept. de Ciencias Naturales y Matematicas

    2014-06-15

    This work presents the Hamming method generalized corrector for numerically resolving the differential equation of delayed neutron precursor concentration from the point kinetics equations for reactivity calculation, without using the nuclear power history or the Laplace transform. A study was carried out of several correctors with their respective modifiers with different time step calculations, to offer stability and greater precision. Better results are obtained for some correctors than with other existing methods. Reactivity can be calculated with precision of the order h{sup 5}, where h is the time step. (orig.)

  18. Pressure vessel calculations for VVER-440 reactors.

    Science.gov (United States)

    Hordósy, G; Hegyi, Gy; Keresztúri, A; Maráczy, Cs; Temesvári, E; Vértes, P; Zsolnay, E

    2005-01-01

    For the determination of the fast neutron load of the reactor pressure vessel a mixed calculational procedure was developed. The procedure was applied to the Unit II of Paks NPP, Hungary. The neutron source on the outer surfaces of the reactor was determined by a core design code, and the neutron transport calculations outside the core were performed by the Monte Carlo code MCNP. The reaction rate in the activation detectors at surveillance positions and at the cavity were calculated and compared with measurements. In most cases, fairly good agreement was found.

  19. The WFIRST Galaxy Survey Exposure Time Calculator

    Science.gov (United States)

    Hirata, Christopher M.; Gehrels, Neil; Kneib, Jean-Paul; Kruk, Jeffrey; Rhodes, Jason; Wang, Yun; Zoubian, Julien

    2013-01-01

    This document describes the exposure time calculator for the Wide-Field Infrared Survey Telescope (WFIRST) high-latitude survey. The calculator works in both imaging and spectroscopic modes. In addition to the standard ETC functions (e.g. background and SN determination), the calculator integrates over the galaxy population and forecasts the density and redshift distribution of galaxy shapes usable for weak lensing (in imaging mode) and the detected emission lines (in spectroscopic mode). The source code is made available for public use.

  20. Chemistry - Toward efficient hydrogen production at surfaces

    DEFF Research Database (Denmark)

    Nørskov, Jens Kehlet; Christensen, Claus H.

    2006-01-01

    Calculations are providing a molecular picture of hydrogen production on catalytic surfaces and within enzymes, knowledge that may guide the design of new, more efficient catalysts for the hydrogen economy.......Calculations are providing a molecular picture of hydrogen production on catalytic surfaces and within enzymes, knowledge that may guide the design of new, more efficient catalysts for the hydrogen economy....

  1. Improving Energy Efficiency Cable Production

    Directory of Open Access Journals (Sweden)

    Iashutina Olga

    2016-01-01

    Full Text Available During the energy calculation is made at different temperatures of the heating surface. The influence of the speed of pulling on the cost of the finished products of cable products. The interrelation of speed broaching and temperature of the heating surface.

  2. Predicting catalysis: understanding ammonia synthesis from first-principles calculations.

    Science.gov (United States)

    Hellman, A; Baerends, E J; Biczysko, M; Bligaard, T; Christensen, C H; Clary, D C; Dahl, S; van Harrevelt, R; Honkala, K; Jonsson, H; Kroes, G J; Luppi, M; Manthe, U; Nørskov, J K; Olsen, R A; Rossmeisl, J; Skúlason, E; Tautermann, C S; Varandas, A J C; Vincent, J K

    2006-09-14

    Here, we give a full account of a large collaborative effort toward an atomic-scale understanding of modern industrial ammonia production over ruthenium catalysts. We show that overall rates of ammonia production can be determined by applying various levels of theory (including transition state theory with or without tunneling corrections, and quantum dynamics) to a range of relevant elementary reaction steps, such as N(2) dissociation, H(2) dissociation, and hydrogenation of the intermediate reactants. A complete kinetic model based on the most relevant elementary steps can be established for any given point along an industrial reactor, and the kinetic results can be integrated over the catalyst bed to determine the industrial reactor yield. We find that, given the present uncertainties, the rate of ammonia production is well-determined directly from our atomic-scale calculations. Furthermore, our studies provide new insight into several related fields, for instance, gas-phase and electrochemical ammonia synthesis. The success of predicting the outcome of a catalytic reaction from first-principles calculations supports our point of view that, in the future, theory will be a fully integrated tool in the search for the next generation of catalysts.

  3. The consideration of atmospheric stability within wind farm AEP calculations

    Science.gov (United States)

    Schmidt, Jonas; Chang, Chi-Yao; Dörenkämper, Martin; Salimi, Milad; Teichmann, Tim; Stoevesandt, Bernhard

    2016-09-01

    The annual energy production of an existing wind farm including thermal stratification is calculated with two different methods and compared to the average of three years of SCADA data. The first method is based on steady state computational fluid dynamics simulations and the assumption of Reynolds-similarity at hub height. The second method is a wake modelling calculation, where a new stratification transformation model was imposed on the Jensen an Ainslie wake models. The inflow states for both approaches were obtained from one year WRF simulation data of the site. Although all models underestimate the mean wind speed and wake effects, the results from the phenomenological wake transformation are compatible with high-fidelity simulation results.

  4. Vibrational spectra and DFT calculations of sonderianin diterpene

    Science.gov (United States)

    Oliveira, I. M. M.; Santos, H. S.; Sena, D. M.; Cruz, B. G.; Teixeira, A. M. R.; Freire, P. T. C.; Braz-Filho, R.; Sousa, J. W.; Albuquerque, M. R. J. R.; Bandeira, P. N.; Bernardino, A. C. S. S.; Gusmão, G. O. M.; Bento, R. R. F.

    2015-11-01

    In the present study, the natural product sonderianin diterpene (C21H26O4), a diterpenoid isolated from Croton blanchetianus, with potential application in the drug industry, was characterized by nuclear magnetic resonance, infrared and Raman spectroscopy. Vibrational spectra were supported by Density Functional Theory calculations. Infrared and Raman spectra of sonderianin were recorded at ambient temperature in the regions from 400 cm-1 to 3600 cm-1 and from 40 cm-1 to 3500 cm-1, respectively. DFT calculations with the hybrid functional B3LYP and the basis set 6-31 G(d,p) were performed with the purpose of obtaining information on the structural and vibrational properties of this organic compound. A comparison with experimental spectra allowed us to assign all of the normal modes of the crystal. The assignment of the normal modes was carried out by means of potential energy distribution.

  5. Rapid Calculation of Spacecraft Trajectories Using Efficient Taylor Series Integration

    Science.gov (United States)

    Scott, James R.; Martini, Michael C.

    2011-01-01

    sets up initial conditions and integrates; (2) a routine that calculates system reduced derivatives using recurrence relations for quotients and products; and (3) a routine that determines the step size and sums the series. The order of accuracy used in a trajectory calculation is arbitrary and can be set by the user. The algorithm directly calculates the motion of other planetary bodies and does not require ephemeris files (except to start the calculation). The code also runs with Taylor series and Runge-Kutta used interchangeably for different phases of a mission.

  6. Temperature calculation in fire safety engineering

    CERN Document Server

    Wickström, Ulf

    2016-01-01

    This book provides a consistent scientific background to engineering calculation methods applicable to analyses of materials reaction-to-fire, as well as fire resistance of structures. Several new and unique formulas and diagrams which facilitate calculations are presented. It focuses on problems involving high temperature conditions and, in particular, defines boundary conditions in a suitable way for calculations. A large portion of the book is devoted to boundary conditions and measurements of thermal exposure by radiation and convection. The concepts and theories of adiabatic surface temperature and measurements of temperature with plate thermometers are thoroughly explained. Also presented is a renewed method for modeling compartment fires, with the resulting simple and accurate prediction tools for both pre- and post-flashover fires. The final chapters deal with temperature calculations in steel, concrete and timber structures exposed to standard time-temperature fire curves. Useful temperature calculat...

  7. Measured and Calculated Volumes of Wetland Depressions

    Data.gov (United States)

    U.S. Environmental Protection Agency — Measured and calculated volumes of wetland depressions This dataset is associated with the following publication: Wu, Q., and C. Lane. Delineation and quantification...

  8. Spectra: Time series power spectrum calculator

    Science.gov (United States)

    Gallardo, Tabaré

    2017-01-01

    Spectra calculates the power spectrum of a time series equally spaced or not based on the Spectral Correlation Coefficient (Ferraz-Mello 1981, Astron. Journal 86 (4), 619). It is very efficient for detection of low frequencies.

  9. Large Numbers and Calculators: A Classroom Activity.

    Science.gov (United States)

    Arcavi, Abraham; Hadas, Nurit

    1989-01-01

    Described is an activity demonstrating how a scientific calculator can be used in a mathematics classroom to introduce new content while studying a conventional topic. Examples of reading and writing large numbers, and reading hidden results are provided. (YP)

  10. Fair and Reasonable Rate Calculation Data -

    Data.gov (United States)

    Department of Transportation — This dataset provides guidelines for calculating the fair and reasonable rates for U.S. flag vessels carrying preference cargoes subject to regulations contained at...

  11. Quantum Monte Carlo Calculations of Light Nuclei

    CERN Document Server

    Pieper, Steven C

    2007-01-01

    During the last 15 years, there has been much progress in defining the nuclear Hamiltonian and applying quantum Monte Carlo methods to the calculation of light nuclei. I describe both aspects of this work and some recent results.

  12. Multigrid Methods in Electronic Structure Calculations

    CERN Document Server

    Briggs, E L; Bernholc, J

    1996-01-01

    We describe a set of techniques for performing large scale ab initio calculations using multigrid accelerations and a real-space grid as a basis. The multigrid methods provide effective convergence acceleration and preconditioning on all length scales, thereby permitting efficient calculations for ill-conditioned systems with long length scales or high energy cut-offs. We discuss specific implementations of multigrid and real-space algorithms for electronic structure calculations, including an efficient multigrid-accelerated solver for Kohn-Sham equations, compact yet accurate discretization schemes for the Kohn-Sham and Poisson equations, optimized pseudo\\-potentials for real-space calculations, efficacious computation of ionic forces, and a complex-wavefunction implementation for arbitrary sampling of the Brillioun zone. A particular strength of a real-space multigrid approach is its ready adaptability to massively parallel computer architectures, and we present an implementation for the Cray-T3D with essen...

  13. 46 CFR 170.090 - Calculations.

    Science.gov (United States)

    2010-10-01

    ... necessary to compute and plot any of the following curves as part of the calculations required in this subchapter, these plots must also be submitted: (1) Righting arm or moment curves. (2) Heeling arm or...

  14. Representation and calculation of economic uncertainties

    DEFF Research Database (Denmark)

    Schjær-Jacobsen, Hans

    2002-01-01

    Management and decision making when certain information is available may be a matter of rationally choosing the optimal alternative by calculation of the utility function. When only uncertain information is available (which is most often the case) decision-making calls for more complex methods...... of representation and calculation and the basis for choosing the optimal alternative may become obscured by uncertainties of the utility function. In practice, several sources of uncertainties of the required information impede optimal decision making in the classical sense. In order to be able to better handle...... to uncertain economic numbers are discussed. When solving economic models for decision-making purposes calculation of uncertain functions will have to be carried out in addition to the basic arithmetical operations. This is a challenging numerical problem since improper methods of calculation may introduce...

  15. Note about socio-economic calculations

    DEFF Research Database (Denmark)

    Landex, Alex; Andersen, Jonas Lohmann Elkjær; Salling, Kim Bang

    2006-01-01

    these effects must be described qualitatively. This note describes the socio-economic evaluation based on market prices and not factor prices which has been the tradition in Denmark till now. This is due to the recommendation from the Ministry of Transport to start using calculations based on market prices......This note gives a short introduction of how to make socio-economic evaluations in connection with the teaching at the Centre for Traffic and Transport (CTT). It is not a manual for making socio-economic calculations in transport infrastructure projects – in this context we refer to the guidelines...... for socio-economic calculations within the transportation area (Ministry of Traffic, 2003). The note also explains the theory of socio-economic calculations – reference is here made to ”Road Infrastructure Planning – a Decision-oriented approach” (Leleur, 2000). Socio-economic evaluations of infrastructure...

  16. Obliged to Calculate: "My School", Markets, and Equipping Parents for Calculativeness

    Science.gov (United States)

    Gobby, Brad

    2016-01-01

    This paper argues neoliberal programs of government in education are equipping parents for calculativeness. Regimes of testing and the publication of these results and other organizational data are contributing to a public economy of numbers that increasingly oblige citizens to calculate. Using the notions of calculative and market devices, this…

  17. A Java Interface for Roche Lobe Calculations

    Science.gov (United States)

    Leahy, D. A.; Leahy, J. C.

    2015-09-01

    A JAVA interface for calculating various properties of the Roche lobe has been created. The geometry of the Roche lobe is important for studying interacting binary stars, particularly those with compact objects which have a companion which fills the Roche lobe. There is no known analytic solution to the Roche lobe problem. Here the geometry of the Roche lobe is calculated numerically to high accuracy and made available to the user for arbitrary input mass ratio, q.

  18. Realistic level density calculation for heavy nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Cerf, N. [Institut de Physique Nucleaire, Orsay (France); Pichon, B. [Observatoire de Paris, Meudon (France); Rayet, M.; Arnould, M. [Institut d`Astronomie et d`Astrophysique, Bruxelles (Belgium)

    1994-12-31

    A microscopic calculation of the level density is performed, based on a combinatorial evaluation using a realistic single-particle level scheme. This calculation relies on a fast Monte Carlo algorithm, allowing to consider heavy nuclei (i.e., large shell model spaces) which could not be treated previously in combinatorial approaches. An exhaustive comparison of the predicted neutron s-wave resonance spacings with experimental data for a wide range of nuclei is presented.

  19. Flow calculation of a bulb turbine

    Energy Technology Data Exchange (ETDEWEB)

    Goede, E.; Pestalozzi, J.

    1987-01-01

    In recent years remarkable progress has been made in the field of theoretical flow calculation. Studying the relevant literature one might receive the impression that most problems have been solved. But probing more deeply into details one becomes aware that by no means all questions are answered. The report tries to point out what may be expected of the quasi-three-dimensional flow calculation method employed and - much more important - what it must not be expected to accomplish. (orig.)

  20. Green's function calculations of light nuclei

    Science.gov (United States)

    Sun, ZhongHao; Wu, Qiang; Xu, FuRong

    2016-09-01

    The influence of short-range correlations in nuclei was investigated with realistic nuclear force. The nucleon-nucleon interaction was renormalized with V lowk technique and applied to the Green's function calculations. The Dyson equation was reformulated with algebraic diagrammatic constructions. We also analyzed the binding energy of 4He, calculated with chiral potential and CD-Bonn potential. The properties of Green's function with realistic nuclear forces are also discussed.

  1. Calculation Methods for Wallenius’ Noncentral Hypergeometric Distribution

    DEFF Research Database (Denmark)

    Fog, Agner

    2008-01-01

    distribution are derived. Range of applicability, numerical problems, and efficiency are discussed for each method. Approximations to the mean and variance are also discussed. This distribution has important applications in models of biased sampling and in models of evolutionary systems....... is the conditional distribution of independent binomial variates given their sum. No reliable calculation method for Wallenius' noncentral hypergeometric distribution has hitherto been described in the literature. Several new methods for calculating probabilities from Wallenius' noncentral hypergeometric...

  2. Users enlist consultants to calculate costs, savings

    Energy Technology Data Exchange (ETDEWEB)

    1982-05-24

    Consultants who calculate payback provide expertise and a second opinion to back up energy managers' proposals. They can lower the costs of an energy-management investment by making complex comparisons of systems and recommending the best system for a specific application. Examples of payback calculations include simple payback for a school system, a university, and a Disneyland hotel, as well as internal rate of return for a corporate office building and a chain of clothing stores. (DCK)

  3. DOWNSCALE APPLICATION OF BOILER THERMAL CALCULATION APPROACH

    OpenAIRE

    Zelený, Zbynĕk; Hrdlička, Jan

    2016-01-01

    Commonly used thermal calculation methods are intended primarily for large scale boilers. Hot water small scale boilers, which are commonly used for home heating have many specifics, that distinguish them from large scale boilers especially steam boilers. This paper is focused on application of thermal calculation procedure that is designed for large scale boilers, on a small scale boiler for biomass combustion of load capacity 25 kW. Special issue solved here is influence of formation of dep...

  4. Reciprocity Theorems for Ab Initio Force Calculations

    CERN Document Server

    Wei, C; Mele, E J; Rappe, A M; Lewis, Steven P.; Rappe, Andrew M.

    1996-01-01

    We present a method for calculating ab initio interatomic forces which scales quadratically with the size of the system and provides a physically transparent representation of the force in terms of the spatial variation of the electronic charge density. The method is based on a reciprocity theorem for evaluating an effective potential acting on a charged ion in the core of each atom. We illustrate the method with calculations for diatomic molecules.

  5. R-matrix calculation for photoionization

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    We have employed the R-matrix method to calculate differe ntial cross sections for photoionization of helium leaving helium ion in an exci ted state for incident photon energy between the N=2 and N=3 thresholds (69~73 eV) of He+ ion. Differential cross sections for photoionization in the N=2 level at emission angle 0° are provide. Our results are in good agreem ent with available experimental data and theoretical calculations.

  6. Efficient Finite Element Calculation of Nγ

    DEFF Research Database (Denmark)

    Clausen, Johan; Damkilde, Lars; Krabbenhøft, K.

    2007-01-01

    This paper deals with the computational aspects of the Mohr-Coulomb material model, in particular the calculation of the bearing capacity factor Nγfor a strip and a circular footing.......This paper deals with the computational aspects of the Mohr-Coulomb material model, in particular the calculation of the bearing capacity factor Nγfor a strip and a circular footing....

  7. Calculating Cumulative Binomial-Distribution Probabilities

    Science.gov (United States)

    Scheuer, Ernest M.; Bowerman, Paul N.

    1989-01-01

    Cumulative-binomial computer program, CUMBIN, one of set of three programs, calculates cumulative binomial probability distributions for arbitrary inputs. CUMBIN, NEWTONP (NPO-17556), and CROSSER (NPO-17557), used independently of one another. Reliabilities and availabilities of k-out-of-n systems analyzed. Used by statisticians and users of statistical procedures, test planners, designers, and numerical analysts. Used for calculations of reliability and availability. Program written in C.

  8. Linear Response Calculations of Spin Fluctuations

    Science.gov (United States)

    Savrasov, S. Y.

    1998-09-01

    A variational formulation of the time-dependent linear response based on the Sternheimer method is developed in order to make practical ab initio calculations of dynamical spin susceptibilities of solids. Using gradient density functional and a muffin-tin-orbital representation, the efficiency of the approach is demonstrated by applications to selected magnetic and strongly paramagnetic metals. The results are found to be consistent with experiment and are compared with previous theoretical calculations.

  9. Environmental flow allocation and statistics calculator

    Science.gov (United States)

    Konrad, Christopher P.

    2011-01-01

    The Environmental Flow Allocation and Statistics Calculator (EFASC) is a computer program that calculates hydrologic statistics based on a time series of daily streamflow values. EFASC will calculate statistics for daily streamflow in an input file or will generate synthetic daily flow series from an input file based on rules for allocating and protecting streamflow and then calculate statistics for the synthetic time series. The program reads dates and daily streamflow values from input files. The program writes statistics out to a series of worksheets and text files. Multiple sites can be processed in series as one run. EFASC is written in MicrosoftRegistered Visual BasicCopyright for Applications and implemented as a macro in MicrosoftOffice Excel 2007Registered. EFASC is intended as a research tool for users familiar with computer programming. The code for EFASC is provided so that it can be modified for specific applications. All users should review how output statistics are calculated and recognize that the algorithms may not comply with conventions used to calculate streamflow statistics published by the U.S. Geological Survey.

  10. Production of Modularised Product Systems

    DEFF Research Database (Denmark)

    Jacobsen, Peter

    2004-01-01

    Abstract: To day, more and more products are customized. Trends are not only to sell a product to the customer, but to sell a product system. The system can either be a combination of physical products or physical products together with some kind of service. Customers get in this way not a product...... but a solution. Modularisation is one tool used in designing the products. Designing and controlling a production system making customized products in an economical way is not an easy task. In order to fulfil the Lean and Agile manufacturing philosophies the production is often carried out in networks. Here...... the decoupling point has a central role. The scope for this article is therefore to analyse the possibilities for using modularisation in designing and controlling a production system. How will the development of modularised product systems influence the production system? In the paper, a case will be used...

  11. Urbanization and Grain Production Efficiency

    Institute of Scientific and Technical Information of China (English)

    Xiaoyang; LI; Dongge; LIU

    2015-01-01

    Based on DEA-Malmquist method,this paper calculated the integrated technology efficiency of grain production and total factor productivity and analyzed factors influencing the grain production technology efficiency using working documents of panel structure. Research results indicate that grain production integrated technology efficiency of China is relatively low,technology utilization level is low,and it remains at the stage of decreasing returns to scale,and the pure technology efficiency still has space to increase. Total factor productivity is declining and the total factor productivity of many provinces is relatively low. Since the total factor productivity of eastern areas is higher than central and western areas,it is required to strengthen technological support for grain production. The implementation of urbanization is helpful for promoting increase of grain production technology efficiency in central and eastern areas,but it will exert negative influence on western areas.

  12. GPU-based calculation of scattering characteristics of space target in the visible spectrum

    Science.gov (United States)

    Cao, YunHua; Wu, Zhensen; Bai, Lu; Song, Zhan; Guo, Xing

    2014-10-01

    Scattering characteristics of space target in the visible spectrum, which can be used in target detection, target identification, and space docking, is calculated in this paper. Algorithm of scattering characteristics of space target is introduced. In the algorithm, space target is divided into thousands of triangle facets. In order to obtain scattering characteristics of the target, calculation of each facet will be needed. For each facet, calculation will be executed in the spectrum of 400-760 nanometers at intervals of 1 nanometer. Thousands of facets and hundreds of bands of each facet will cause huge calculation, thus the calculation will be very time-consuming. Taking into account the high parallelism of the algorithm, Graphic Processing Units (GPUs) are used to accelerate the algorithm. The acceleration reaches 300 times speedup on single Femi-generation NVDIA GTX 590 as compared to the single-thread CPU version of code on Intel(R) Xeon(R) CPU E5-2620. And a speedup of 412x can be reached when a Kepler-generation NVDIA K20c is used.

  13. Process control and optimization with simple interval calculation method

    DEFF Research Database (Denmark)

    Pomerantsev, A.; Rodionova, O.; Høskuldsson, Agnar

    2006-01-01

    the series of expanding PLS/SIC models in order to support the on-line process improvements. This method helps to predict the effect of planned actions on the product quality and thus enables passive quality control. We have also considered an optimization approach that proposes the correcting actions......Methods of process control and optimization are presented and illustrated with a real world example. The optimization methods are based on the PLS block modeling as well as on the simple interval calculation methods of interval prediction and object status classification. It is proposed to employ...... for the quality improvement in the course of production. The latter is an active quality optimization, which takes into account the actual history of the process. The advocate approach is allied to the conventional method of multivariate statistical process control (MSPC) as it also employs the historical process...

  14. Good Practices in Free-energy Calculations

    Science.gov (United States)

    Pohorille, Andrew; Jarzynski, Christopher; Chipot, Christopher

    2013-01-01

    As access to computational resources continues to increase, free-energy calculations have emerged as a powerful tool that can play a predictive role in drug design. Yet, in a number of instances, the reliability of these calculations can be improved significantly if a number of precepts, or good practices are followed. For the most part, the theory upon which these good practices rely has been known for many years, but often overlooked, or simply ignored. In other cases, the theoretical developments are too recent for their potential to be fully grasped and merged into popular platforms for the computation of free-energy differences. The current best practices for carrying out free-energy calculations will be reviewed demonstrating that, at little to no additional cost, free-energy estimates could be markedly improved and bounded by meaningful error estimates. In energy perturbation and nonequilibrium work methods, monitoring the probability distributions that underlie the transformation between the states of interest, performing the calculation bidirectionally, stratifying the reaction pathway and choosing the most appropriate paradigms and algorithms for transforming between states offer significant gains in both accuracy and precision. In thermodynamic integration and probability distribution (histogramming) methods, properly designed adaptive techniques yield nearly uniform sampling of the relevant degrees of freedom and, by doing so, could markedly improve efficiency and accuracy of free energy calculations without incurring any additional computational expense.

  15. Paramedics’ Ability to Perform Drug Calculations

    Directory of Open Access Journals (Sweden)

    Eastwood, Kathyrn J

    2009-11-01

    Full Text Available Background: The ability to perform drug calculations accurately is imperative to patient safety. Research into paramedics’ drug calculation abilities was first published in 2000 and for nurses’ abilities the research dates back to the late 1930s. Yet, there have been no studies investigating an undergraduate paramedic student’s ability to perform drug or basic mathematical calculations. The objective of this study was to review the literature and determine the ability of undergraduate and qualified paramedics to perform drug calculations.Methods: A search of the prehospital-related electronic databases was undertaken using the Ovid and EMBASE systems available through the Monash University Library. Databases searched included the Cochrane Central Register of Controlled Trials (CENTRAL, MEDLINE, CINAHL, JSTOR, EMBASE and Google Scholar, from their beginning until the end of August 2009. We reviewed references from articles retrieved.Results: The electronic database search located 1,154 articles for review. Six additional articles were identified from reference lists of retrieved articles. Of these, 59 were considered relevant. After reviewing the 59 articles only three met the inclusion criteria. All articles noted some level of mathematical deficiencies amongst their subjects.Conclusions: This study identified only three articles. Results from these limited studies indicate a significant lack of mathematical proficiency amongst the paramedics sampled. A need exists to identify if undergraduate paramedic students are capable of performing the required drug calculations in a non-clinical setting.[WestJEM. 2009;10:240-243.

  16. Comparison of Polar Cap (PC) index calculations.

    Science.gov (United States)

    Stauning, P.

    2012-04-01

    The Polar Cap (PC) index introduced by Troshichev and Andrezen (1985) is derived from polar magnetic variations and is mainly a measure of the intensity of the transpolar ionospheric currents. These currents relate to the polar cap antisunward ionospheric plasma convection driven by the dawn-dusk electric field, which in turn is generated by the interaction of the solar wind with the Earth's magnetosphere. Coefficients to calculate PCN and PCS index values from polar magnetic variations recorded at Thule and Vostok, respectively, have been derived by several different procedures in the past. The first published set of coefficients for Thule was derived by Vennerstrøm, 1991 and is still in use for calculations of PCN index values by DTU Space. Errors in the program used to calculate index values were corrected in 1999 and again in 2001. In 2005 DMI adopted a unified procedure proposed by Troshichev for calculations of the PCN index. Thus there exists 4 different series of PCN index values. Similarly, at AARI three different sets of coefficients have been used to calculate PCS indices in the past. The presentation discusses the principal differences between the various PC index procedures and provides comparisons between index values derived from the same magnetic data sets using the different procedures. Examples from published papers are examined to illustrate the differences.

  17. Accurate free energy calculation along optimized paths.

    Science.gov (United States)

    Chen, Changjun; Xiao, Yi

    2010-05-01

    The path-based methods of free energy calculation, such as thermodynamic integration and free energy perturbation, are simple in theory, but difficult in practice because in most cases smooth paths do not exist, especially for large molecules. In this article, we present a novel method to build the transition path of a peptide. We use harmonic potentials to restrain its nonhydrogen atom dihedrals in the initial state and set the equilibrium angles of the potentials as those in the final state. Through a series of steps of geometrical optimization, we can construct a smooth and short path from the initial state to the final state. This path can be used to calculate free energy difference. To validate this method, we apply it to a small 10-ALA peptide and find that the calculated free energy changes in helix-helix and helix-hairpin transitions are both self-convergent and cross-convergent. We also calculate the free energy differences between different stable states of beta-hairpin trpzip2, and the results show that this method is more efficient than the conventional molecular dynamics method in accurate free energy calculation.

  18. Perturbation calculation of thermodynamic density of states.

    Science.gov (United States)

    Brown, G; Schulthess, T C; Nicholson, D M; Eisenbach, M; Stocks, G M

    2011-12-01

    The density of states g (ε) is frequently used to calculate the temperature-dependent properties of a thermodynamic system. Here a derivation is given for calculating the warped density of states g*(ε) resulting from the addition of a perturbation. The method is validated for a classical Heisenberg model of bcc Fe and the errors in the free energy are shown to be second order in the perturbation. Taking the perturbation to be the difference between a first-principles quantum-mechanical energy and a corresponding classical energy, this method can significantly reduce the computational effort required to calculate g(ε) for quantum systems using the Wang-Landau approach.

  19. Using Inverted Indices for Accelerating LINGO Calculations

    DEFF Research Database (Denmark)

    Kristensen, Thomas Greve; Nielsen, Jesper; Pedersen, Christian Nørgaard Storm

    2011-01-01

    The ever growing size of chemical data bases calls for the development of novel methods for representing and comparing molecules. One such method called LINGO is based on fragmenting the SMILES string representation of molecules. Comparison of molecules can then be performed by calculating...... the Tanimoto coefficient which is called the LINGOsim when used on LINGO multisets. This paper introduces a verbose representation for storing LINGO multisets which makes it possible to transform them into sparse fingerprints such that fingerprint data structures and algorithms can be used to accelerate...... queries. The previous best method for rapidly calculating the LINGOsim similarity matrix required specialised hardware to yield a significant speedup over existing methods. By representing LINGO multisets in the verbose representation and using inverted indices it is possible to calculate LINGOsim...

  20. Using inverted indices for accelerating LINGO calculations.

    Science.gov (United States)

    Kristensen, Thomas G; Nielsen, Jesper; Pedersen, Christian N S

    2011-03-28

    The ever growing size of chemical databases calls for the development of novel methods for representing and comparing molecules. One such method called LINGO is based on fragmenting the SMILES string representation of molecules. Comparison of molecules can then be performed by calculating the Tanimoto coefficient, which is called LINGOsim when used on LINGO multisets. This paper introduces a verbose representation for storing LINGO multisets, which makes it possible to transform them into sparse fingerprints such that fingerprint data structures and algorithms can be used to accelerate queries. The previous best method for rapidly calculating the LINGOsim similarity matrix required specialized hardware to yield a significant speedup over existing methods. By representing LINGO multisets in the verbose representation and using inverted indices, it is possible to calculate LINGOsim similarity matrices roughly 2.6 times faster than existing methods without relying on specialized hardware.

  1. Automated one-loop calculations with GOSAM

    Energy Technology Data Exchange (ETDEWEB)

    Cullen, Gavin [Edinburgh Univ. (United Kingdom). School of Physics and Astronomy; Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Greiner, Nicolas [Illinois Univ., Urbana-Champaign, IL (United States). Dept. of Physics; Max-Planck-Institut fuer Physik, Muenchen (Germany); Heinrich, Gudrun; Reiter, Thomas [Max-Planck-Institut fuer Physik, Muenchen (Germany); Luisoni, Gionata [Durham Univ. (United Kingdom). Inst. for Particle Physics Phenomenology; Mastrolia, Pierpaolo [Max-Planck-Institut fuer Physik, Muenchen (Germany); Padua Univ. (Italy). Dipt. di Fisica; Ossola, Giovanni [New York City Univ., NY (United States). New York City College of Technology; New York City Univ., NY (United States). The Graduate School and University Center; Tramontano, Francesco [European Organization for Nuclear Research (CERN), Geneva (Switzerland)

    2011-11-15

    We present the program package GoSam which is designed for the automated calculation of one-loop amplitudes for multi-particle processes in renormalisable quantum field theories. The amplitudes, which are generated in terms of Feynman diagrams, can be reduced using either D-dimensional integrand-level decomposition or tensor reduction. GoSam can be used to calculate one-loop QCD and/or electroweak corrections to Standard Model processes and offers the flexibility to link model files for theories Beyond the Standard Model. A standard interface to programs calculating real radiation is also implemented. We demonstrate the flexibility of the program by presenting examples of processes with up to six external legs attached to the loop. (orig.)

  2. Benchmarking calculations of excitonic couplings between bacteriochlorophylls

    CERN Document Server

    Kenny, Elise P

    2015-01-01

    Excitonic couplings between (bacterio)chlorophyll molecules are necessary for simulating energy transport in photosynthetic complexes. Many techniques for calculating the couplings are in use, from the simple (but inaccurate) point-dipole approximation to fully quantum-chemical methods. We compared several approximations to determine their range of applicability, noting that the propagation of experimental uncertainties poses a fundamental limit on the achievable accuracy. In particular, the uncertainty in crystallographic coordinates yields an uncertainty of about 20% in the calculated couplings. Because quantum-chemical corrections are smaller than 20% in most biologically relevant cases, their considerable computational cost is rarely justified. We therefore recommend the electrostatic TrEsp method across the entire range of molecular separations and orientations because its cost is minimal and it generally agrees with quantum-chemical calculations to better than the geometric uncertainty. We also caution ...

  3. Dose calculations for intakes of ore dust

    Energy Technology Data Exchange (ETDEWEB)

    O`Brien, R.S

    1998-08-01

    This report describes a methodology for calculating the committed effective dose for mixtures of radionuclides, such as those which occur in natural radioactive ores and dusts. The formulae are derived from first principles, with the use of reasonable assumptions concerning the nature and behaviour of the radionuclide mixtures. The calculations are complicated because these `ores` contain a range of particle sizes, have different degrees of solubility in blood and other body fluids, and also have different biokinetic clearance characteristics from the organs and tissues in the body. The naturally occurring radionuclides also tend to occur in series, i.e. one is produced by the radioactive decay of another `parent` radionuclide. The formulae derived here can be used, in conjunction with a model such as LUDEP, for calculating total dose resulting from inhalation and/or ingestion of a mixture of radionuclides, and also for deriving annual limits on intake and derived air concentrations for these mixtures. 15 refs., 14 tabs., 3 figs.

  4. Numerical inductance calculations based on first principles.

    Science.gov (United States)

    Shatz, Lisa F; Christensen, Craig W

    2014-01-01

    A method of calculating inductances based on first principles is presented, which has the advantage over the more popular simulators in that fundamental formulas are explicitly used so that a deeper understanding of the inductance calculation is obtained with no need for explicit discretization of the inductor. It also has the advantage over the traditional method of formulas or table lookups in that it can be used for a wider range of configurations. It relies on the use of fast computers with a sophisticated mathematical computing language such as Mathematica to perform the required integration numerically so that the researcher can focus on the physics of the inductance calculation and not on the numerical integration.

  5. Challenges in Large Scale Quantum Mechanical Calculations

    CERN Document Server

    Ratcliff, Laura E; Huhs, Georg; Deutsch, Thierry; Masella, Michel; Genovese, Luigi

    2016-01-01

    During the past decades, quantum mechanical methods have undergone an amazing transition from pioneering investigations of experts into a wide range of practical applications, made by a vast community of researchers. First principles calculations of systems containing up to a few hundred atoms have become a standard in many branches of science. The sizes of the systems which can be simulated have increased even further during recent years, and quantum-mechanical calculations of systems up to many thousands of atoms are nowadays possible. This opens up new appealing possibilities, in particular for interdisciplinary work, bridging together communities of different needs and sensibilities. In this review we will present the current status of this topic, and will also give an outlook on the vast multitude of applications, challenges and opportunities stimulated by electronic structure calculations, making this field an important working tool and bringing together researchers of many different domains.

  6. Cosmology calculations almost without general relativity

    CERN Document Server

    Jordan, T F

    2003-01-01

    The Friedmann equation can be derived for a Newtonian universe. Changing mass density to energy density gives exactly the Friedmann equation of general relativity. Accounting for work done by pressure then yields the two Einstein equations that govern the expansion of the universe. Descriptions and explanations of radiation pressure and vacuum pressure are added to complete a basic kit of cosmology tools. It provides a basis for teaching cosmology to undergraduates in a way that quickly equips them to do basic calculations. This is demonstrated with calculations involving: characteristics of the expansion for densities dominated by radiation, matter, or vacuum; the closeness of the density to the critical density; how much vacuum energy compared to matter energy is needed to make the expansion accelerate; and how little is needed to make it stop. Travel time and luninosity distance are calculated in terms of the redshift and the densities of matter and vacuum energy, using a scaled Friedmann equation with the...

  7. Parallel scalability of Hartree–Fock calculations

    Energy Technology Data Exchange (ETDEWEB)

    Chow, Edmond, E-mail: echow@cc.gatech.edu; Liu, Xing [School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0765 (United States); Smelyanskiy, Mikhail; Hammond, Jeff R. [Parallel Computing Lab, Intel Corporation, Santa Clara, California 95054-1549 (United States)

    2015-03-14

    Quantum chemistry is increasingly performed using large cluster computers consisting of multiple interconnected nodes. For a fixed molecular problem, the efficiency of a calculation usually decreases as more nodes are used, due to the cost of communication between the nodes. This paper empirically investigates the parallel scalability of Hartree–Fock calculations. The construction of the Fock matrix and the density matrix calculation are analyzed separately. For the former, we use a parallelization of Fock matrix construction based on a static partitioning of work followed by a work stealing phase. For the latter, we use density matrix purification from the linear scaling methods literature, but without using sparsity. When using large numbers of nodes for moderately sized problems, density matrix computations are network-bandwidth bound, making purification methods potentially faster than eigendecomposition methods.

  8. Lagrange interpolation for the radiation shielding calculation

    CERN Document Server

    Isozumi, Y; Miyatake, H; Kato, T; Tosaki, M

    2002-01-01

    Basing on some formulas of Lagrange interpolation derived in this paper, a computer program for table calculations has been prepared. Main features of the program are as follows; 1) maximum degree of polynomial in Lagrange interpolation is 10, 2) tables with both one variable and two variables can be applied, 3) logarithmic transformations of function and/or variable values can be included and 4) tables with discontinuities and cusps can be applied. The program has been carefully tested by using the data tables in the manual of shielding calculation for radiation facilities. For all available tables in the manual, calculations with the program have been reasonably performed under conditions of 1) logarithmic transformation of both function and variable values and 2) degree 4 or 5 of the polynomial.

  9. eQuilibrator--the biochemical thermodynamics calculator.

    Science.gov (United States)

    Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron

    2012-01-01

    The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like 'how much Gibbs energy is released by ATP hydrolysis at pH 5?' are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use.

  10. Daylight calculations using constant luminance curves

    Energy Technology Data Exchange (ETDEWEB)

    Betman, E. [CRICYT, Mendoza (Argentina). Laboratorio de Ambiente Humano y Vivienda

    2005-02-01

    This paper presents a simple method to manually estimate daylight availability and to make daylight calculations using constant luminance curves calculated with local illuminance and irradiance data and the all-weather model for sky luminance distribution developed in the Atmospheric Science Research Center of the University of New York (ARSC) by Richard Perez et al. Work with constant luminance curves has the advantage that daylight calculations include the problem's directionality and preserve the information of the luminous climate of the place. This permits accurate knowledge of the resource and a strong basis to establish conclusions concerning topics related to the energy efficiency and comfort in buildings. The characteristics of the proposed method are compared with the method that uses the daylight factor. (author)

  11. Calculation of Radiation Damage in SLAC Targets

    Energy Technology Data Exchange (ETDEWEB)

    Wirth, B D; Monasterio, P; Stein, W

    2008-04-03

    Ti-6Al-4V alloys are being considered as a positron producing target in the Next Linear Collider, with an incident photon beam and operating temperatures between room temperature and 300 C. Calculations of displacement damage in Ti-6Al-4V alloys have been performed by combining high-energy particle FLUKA simulations with SPECTER calculations of the displacement cross section from the resulting energy-dependent neutron flux plus the displacements calculated from the Lindhard model from the resulting energy-dependent ion flux. The radiation damage calculations have investigated two cases, namely the damage produced in a Ti-6Al-4V SLAC positron target where the irradiation source is a photon beam with energies between 5 and 11 MeV. As well, the radiation damage dose in displacements per atom, dpa, has been calculated for a mono-energetic 196 MeV proton irradiation experiment performed at Brookhaven National Laboratory (BLIP experiment). The calculated damage rate is 0.8 dpa/year for the Ti-6Al-4V SLAC photon irradiation target, and a total damage exposure of 0.06 dpa in the BLIP irradiation experiment. In both cases, the displacements are predominantly ({approx}80%) produced by recoiling ions (atomic nuclei) from photo-nuclear collisions or proton-nuclear collisions, respectively. Approximately 25% of the displacement damage results from the neutrons in both cases. Irradiation effects studies in titanium alloys have shown substantial increases in the yield and ultimate strength of up to 500 MPa and a corresponding decrease in uniform ductility for neutron and high energy proton irradiation at temperatures between 40 and 300 C. Although the data is limited, there is an indication that the strength increases will saturate by doses on the order of a few dpa. Microstructural investigations indicate that the dominant features responsible for the strength increases were dense precipitation of a {beta} (body-centered cubic) phase precipitate along with a high number density

  12. Precise calculations of the deuteron quadrupole moment

    Energy Technology Data Exchange (ETDEWEB)

    Gross, Franz L. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

    2016-06-01

    Recently, two calculations of the deuteron quadrupole moment have have given predictions that agree with the measured value to within 1%, resolving a long-standing discrepancy. One of these uses the covariant spectator theory (CST) and the other chiral effective field theory (cEFT). In this talk I will first briefly review the foundations and history of the CST, and then compare these two calculations with emphasis on how the same physical processes are being described using very different language. The comparison of the two methods gives new insights into the dynamics of the low energy NN interaction.

  13. Local orbitals in electron scattering calculations*

    Science.gov (United States)

    Winstead, Carl L.; McKoy, Vincent

    2016-05-01

    We examine the use of local orbitals to improve the scaling of calculations that incorporate target polarization in a description of low-energy electron-molecule scattering. After discussing the improved scaling that results, we consider the results of a test calculation that treats scattering from a two-molecule system using both local and delocalized orbitals. Initial results are promising. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.

  14. Numerical calculation of impurity charge state distributions

    Energy Technology Data Exchange (ETDEWEB)

    Crume, E. C.; Arnurius, D. E.

    1977-09-01

    The numerical calculation of impurity charge state distributions using the computer program IMPDYN is discussed. The time-dependent corona atomic physics model used in the calculations is reviewed, and general and specific treatments of electron impact ionization and recombination are referenced. The complete program and two examples relating to tokamak plasmas are given on a microfiche so that a user may verify that his version of the program is working properly. In the discussion of the examples, the corona steady-state approximation is shown to have significant defects when the plasma environment, particularly the electron temperature, is changing rapidly.

  15. The new pooled cohort equations risk calculator

    DEFF Research Database (Denmark)

    Preiss, David; Kristensen, Søren L

    2015-01-01

    total cardiovascular risk score. During development of joint guidelines released in 2013 by the American College of Cardiology (ACC) and American Heart Association (AHA), the decision was taken to develop a new risk score. This resulted in the ACC/AHA Pooled Cohort Equations Risk Calculator. This risk...... disease and any measure of social deprivation. An early criticism of the Pooled Cohort Equations Risk Calculator has been its alleged overestimation of ASCVD risk which, if confirmed in the general population, is likely to result in statin therapy being prescribed to many individuals at lower risk than...

  16. Idiot savant calendrical calculators: maths or memory?

    Science.gov (United States)

    O'Connor, N; Hermelin, B

    1984-11-01

    Eight idiot savant calendrical calculators were tested on dates in the years 1963, 1973, 1983, 1986 and 1993. The study was carried out in 1983. Speeds of correct response were minimal in 1983 and increased markedly into the past and the future. The response time increase was matched by an increase in errors. Speeds of response were uncorrelated with measured IQ, but the numbers were insufficient to justify any inference in terms of IQ-independence. Results are interpreted as showing that memory alone is inadequate to explain the calendrical calculating performance of the idiot savant subjects.

  17. Calculated Electron Fluxes at Airplane Altitudes

    CERN Document Server

    Schaefer, R K; Stanev, T

    1993-01-01

    A precision measurement of atmospheric electron fluxes has been performed on a Japanese commercial airliner (Enomoto, {\\it et al.}, 1991). We have performed a monte carlo calculation of the cosmic ray secondary electron fluxes expected in this experiment. The monte carlo uses the hadronic portion of our neutrino flux cascade program combined with the electromagnetic cascade portion of the CERN library program GEANT. Our results give good agreement with the data, provided we boost the overall normalization of the primary cosmic ray flux by 12\\% over the normalization used in the neutrino flux calculation.

  18. Program Calculates Power Demands Of Electronic Designs

    Science.gov (United States)

    Cox, Brian

    1995-01-01

    CURRENT computer program calculates power requirements of electronic designs. For given design, CURRENT reads in applicable parts-list file and file containing current required for each part. Program also calculates power required for circuit at supply potentials of 5.5, 5.0, and 4.5 volts. Written by use of AWK utility for Sun4-series computers running SunOS 4.x and IBM PC-series and compatible computers running MS-DOS. Sun version of program (NPO-19590). PC version of program (NPO-19111).

  19. Calculated optical absorption of different perovskite phases

    DEFF Research Database (Denmark)

    Castelli, Ivano Eligio; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel

    2015-01-01

    We present calculations of the optical properties of a set of around 80 oxides, oxynitrides, and organometal halide cubic and layered perovskites (Ruddlesden-Popper and Dion-Jacobson phases) with a bandgap in the visible part of the solar spectrum. The calculations show that for different classes...... of perovskites the solar light absorption efficiency varies greatly depending not only on bandgap size and character (direct/indirect) but also on the dipole matrix elements. The oxides exhibit generally a fairly weak absorption efficiency due to indirect bandgaps while the most efficient absorbers are found...... in the classes of oxynitride and organometal halide perovskites with strong direct transitions....

  20. Relaxation Method For Calculating Quantum Entanglement

    CERN Document Server

    Tucci, R R

    2001-01-01

    In a previous paper, we showed how entanglement of formation can be defined as a minimum of the quantum conditional mutual information (a.k.a. quantum conditional information transmission). In classical information theory, the Arimoto-Blahut method is one of the preferred methods for calculating extrema of mutual information. We present a new method akin to the Arimoto-Blahut method for calculating entanglement of formation. We also present several examples computed with a computer program called Causa Comun that implements the ideas of this paper.

  1. DFT calculations with the exact functional

    Science.gov (United States)

    Burke, Kieron

    2014-03-01

    I will discuss several works in which we calculate the exact exchange-correlation functional of density functional theory, mostly using the density-matrix renormalization group method invented by Steve White, our collaborator. We demonstrate that a Mott-Hubard insulator is a band metal. We also perform Kohn-Sham DFT calculations with the exact functional and prove that a simple algoritm always converges. But we find convergence becomes harder as correlations get stronger. An example from transport through molecular wires may also be discussed. Work supported by DOE grant DE-SC008696.

  2. Calculating reliability measures for ordinal data.

    Science.gov (United States)

    Gamsu, C V

    1986-11-01

    Establishing the reliability of measures taken by judges is important in both clinical and research work. Calculating the statistic of choice, the kappa coefficient, unfortunately is not a particularly quick and simple procedure. Two much-needed practical tools have been developed to overcome these difficulties: a comprehensive and easily understood guide to the manual calculation of the most complex form of the kappa coefficient, weighted kappa for ordinal data, has been written; and a computer program to run under CP/M, PC-DOS and MS-DOS has been developed. With simple modification the program will also run on a Sinclair Spectrum home computer.

  3. Improving on calculation of martensitic phenomenological theory

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Exemplified by the martensitic transformation from DO3 to 18R in Cu-14.2Al-4.3Ni alloy and according to the principle that invariant-habit-plane can be obtained by self-accommodation between variants with twin relationships, and on the basis of displacement vector, volume fractions of two variants with twin relationships in martensitic transformation, habit-plane indexes, and orientation relationships between martensite and austenite after phase transformation can be calculated. Because no additional rotation matrixes are needed to be considered and mirror symmetric operations are used, the calculation process is simple and the results are accurate.

  4. Transmission pipeline calculations and simulations manual

    CERN Document Server

    Menon, E Shashi

    2014-01-01

    Transmission Pipeline Calculations and Simulations Manual is a valuable time- and money-saving tool to quickly pinpoint the essential formulae, equations, and calculations needed for transmission pipeline routing and construction decisions. The manual's three-part treatment starts with gas and petroleum data tables, followed by self-contained chapters concerning applications. Case studies at the end of each chapter provide practical experience for problem solving. Topics in this book include pressure and temperature profile of natural gas pipelines, how to size pipelines for specified f

  5. Pumping slots: Coupling impedance calculations and estimates

    Energy Technology Data Exchange (ETDEWEB)

    Kurennoy, S.

    1993-08-01

    Coupling impedances of small pumping holes in vacuum-chamber walls have been calculated at low frequencies, i.e., for wavelengths large compared to a typical hole size, in terms of electric and magnetic polarizabilities of the hole. The polarizabilities can be found by solving and electro- or magnetostatic problem and are known analytically for the case of the elliptic shape of the hole in a thin wall. The present paper studies the case of pumping slots. Using results of numerical calculations and analytical approximations of polarizabilities, we give formulae for practically important estimates of slot contribution to low-frequency coupling impedances.

  6. Necessity of Exact Calculation for Transition Probability

    Institute of Scientific and Technical Information of China (English)

    LIU Fu-Sui; CHEN Wan-Fang

    2003-01-01

    This paper shows that exact calculation for transition probability can make some systems deviate fromFermi golden rule seriously. This paper also shows that the corresponding exact calculation of hopping rate inducedby phonons for deuteron in Pd-D system with the many-body electron screening, proposed by Ichimaru, can explainthe experimental fact observed in Pd-D system, and predicts that perfection and low-dimension of Pd lattice are veryimportant for the phonon-induced hopping rate enhancement in Pd-D system.

  7. Production control system specified quality sausage products

    Directory of Open Access Journals (Sweden)

    A. V. Tokarev

    2016-01-01

    Full Text Available The problem of management of production target in technological system of production of sausages of the set quality is considered in article. Decomposition of technological system is considered. Functions of management are allocated: formation of an optimum compounding of forcemeat, expert analysis of a compounding, laboratory analysis of a compounding and its statement. Information technology of interaction of these functions is offered. The mathematical problem definition of finding of an optimum compounding meat product with use of possible substitutes of ingredients is presented. This mathematical problem is a classical linear programming problem whose solution has the standard program. Since the manufacture of the finished product are various nonlinear effects are taken into account at the present time it is practically impossible, the methodology provided in this operation "Expert analysis of the formulation" and "Laboratory analysis of the finished product." An example of calculating the optimum alternative base recipe "Sausages “Viennese with cheese”" TS 9213-010-40155161-2002. For an alternative formulation demands were made at a cost of meat, the ingredient composition, as well as the final product organoleptic and physic-chemical indicators should comply with regulatory requirements "Sausages “Viennese with cheese”" TS 9213-010-40155161-2002. Indicator acid activity (pH calculated stuffing formulation should be in the range 6.0-6.3. As a partial replacement for the main raw material have been proposed acceptable substitutes. It was necessary to calculate on the basis of the formulation "Sausages “Viennese with cheese”" TS 9213-010-40155161-2002 optimal price and quality alternative formulation. As a result of depreciation of the value of alternative stuffing recipe was 14,5 % when all of the restrictions on the consumer properties. The proposed information technology implemented in the software package "Multi

  8. Calculation of {beta}-ray spectra. Odd-odd nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Tachibana, Takahiro [Waseda Univ., Tokyo (Japan). Advanced Research Center for Science and Engineering

    1996-05-01

    In order to study {beta}-ray of atomic nucleus, it is natural to consider {beta}-ray data fundamental and important. In a recent experiment, Rudstam measured {beta}-ray spectra from short term nuclear fission product species in 1990. It is an important check point in theoretical study on {beta}-ray to investigate if these experimental data can be reproduced by any theoretical calculation. As there are several spectrum studies of {beta}-ray through decay heat for its various properties due to the general theory of the {beta}-decay, little descriptions can be found. In even such studies, spectra under high excitation state of daughter species difficult to measure and apt to short experimental results were treated with combination spectra composed of experimental and calculated values such as substitution of a part of the general theory with calculated value. In this paper, the {beta} spectra supposed by only the general theory was reported without using such data combination in order to confirm effectiveness of the theory. In particular, this report was described mainly on the results using recent modification of odd-odd nucleus species. (G.K.)

  9. First-principles calculations of mass transport in magnesium borohydride

    Science.gov (United States)

    Yu, Chao; Ozolins, Vidvuds

    2013-03-01

    Mg(BH4)2 is a hydrogen storage material which can decompose to release hydrogen in the following reaction: Mg(BH4)2(solid) -->1/6 MgB12H12(solid) + 5/6MgH2(solid) +13/6 H2(gas) --> MgH2(solid) + 2B(solid) + 4H2(gas). However, experiments show that hydrogen release only occurs at temperatures above 300 °C, which severely limits applications in mobile storage. Using density-functional theory calculations, we systematically study bulk diffusion of defects in the reactant Mg(BH4)2 and products MgB12H12 and MgH2 during the first step of the solid-state dehydrogenation reaction. The defect concentrations and concentration gradients are calculated for a variety of defects, including charged vacancies and interstitials. We find that neutral [BH3] vacancies have the highest bulk concentration and concentration gradient in Mg(BH4)2. The diffusion mechanism of [BH3] vacancy in Mg(BH4)2 is studied using the nudged elastic band method. Our results shows that the calculated diffusion barrier for [BH3] vacancies is ~ . 2 eV, suggesting that slow mass transport limits the kinetics of hydrogen desorption.

  10. Calculating multidimensional discrete variable representations from cubature formulas.

    Science.gov (United States)

    Degani, Ilan; Tannor, David J

    2006-04-27

    Finding multidimensional nondirect product discrete variable representations (DVRs) of Hamiltonian operators is one of the long standing challenges in computational quantum mechanics. The concept of a "DVR set" was introduced as a general framework for treating this problem by R. G. Littlejohn, M. Cargo, T. Carrington, Jr., K. A. Mitchell, and B. Poirier (J. Chem. Phys. 2002, 116, 8691). We present a general solution of the problem of calculating multidimensional DVR sets whose points are those of a known cubature formula. As an illustration, we calculate several new nondirect product cubature DVRs on the plane and on the sphere with up to 110 points. We also discuss simple and potentially very useful finite basis representations (FBRs), based on general (nonproduct) cubatures. Connections are drawn to a novel view on cubature presented by I. Degani, J. Schiff, and D. J. Tannor (Num. Math. 2005, 101, 479), in which commuting extensions of coordinate matrices play a central role. Our construction of DVR sets answers a problem left unresolved in the latter paper, namely, the problem of interpreting as function spaces the vector spaces on which commuting extensions act.

  11. COMPARING MEASURED AND CALCULATED DOSES IN INTERVENTIONAL CARDIOLOGY PROCEDURES.

    Science.gov (United States)

    Oliveira da Silva, M W; Canevaro, L V; Hunt, J; Rodrigues, B B D

    2017-03-16

    Interventional cardiology requires complex procedures and can result in high doses and dose rates to the patient and medical staff. The many variables that influence the dose to the patient and staff include the beam position and angle, beam size, kVp, filtration, kerma-area product and focus-skin distance. A number of studies using the Monte Carlo method have been undertaken to obtain prospective dose assessments. In this paper, detailed irradiation scenarios were simulated mathematically and the resulting dose estimates were compared with real measurements made previously under very similar irradiation conditions and geometries. The real measurements and the calculated doses were carried out using or simulating an interventional cardiology system with a flat monoplane detector installed in a dedicated room with an Alderson phantom placed on the procedure table. The X-ray spectra, beam angles, focus-skin distance, measured kerma-area product and filtration were simulated, and the real dose measurements and calculated doses were compared. It was shown that the Monte Carlo method was capable of reproducing the real dose measurements within acceptable levels of uncertainty.

  12. Calculation of U-value for Concrete Element

    DEFF Research Database (Denmark)

    Rose, Jørgen

    1997-01-01

    This report is a U-value calculation of a typical concrete element used in industrial buildings.The calculations are performed using a 2-dimensional finite difference calculation programme.......This report is a U-value calculation of a typical concrete element used in industrial buildings.The calculations are performed using a 2-dimensional finite difference calculation programme....

  13. A New Thermodynamic Calculation Method for Binary Alloys: Part I: Statistical Calculation of Excess Functions

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The improved form of calculation formula for the activities of the components in binary liquids and solid alloys has been derived based on the free volume theory considering excess entropy and Miedema's model for calculating the formation heat of binary alloys. A calculation method of excess thermodynamic functions for binary alloys, the formulas of integral molar excess properties and partial molar excess properties for solid ordered or disordered binary alloys have been developed. The calculated results are in good agreement with the experimental values.

  14. Methodology for calculating guideline concentrations for safety shot sites

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-06-01

    Residual plutonium (Pu), with trace quantities of depleted uranium (DU) or weapons grade uranium (WU), exists in surficial soils at the Nevada Test Site (NTS), Nellis Air Force Range (NAFR), and the Tonopah Test Range (TTR) as the result of the above-ground testing of nuclear weapons and special experiments involving the detonation of plutonium-bearing devices. The special experiments (referred to as safety shots) involving plutonium-bearing devices were conducted to study the behavior of Pu as it was being explosively compressed; ensure that the accidental detonation of the chemical explosive in a production weapon would not result in criticality; evaluate the ability of personnel to manage large-scale Pu dispersal accidents; and develop criteria for transportation and storage of nuclear weapons. These sites do not pose a health threat to either workers or the general public because they are under active institutional control. The DOE is committed to remediating the safety shot sites so that radiation exposure to the public, both now and in the future, will be maintained within the established limits and be as low as reasonably achievable. Remediation requires calculation of a guideline concentration for the Pu, U, and their decay products that are present in the surface soil. This document presents the methodology for calculating guideline concentrations of weapons grade plutonium, weapons grade uranium, and depleted uranium in surface soils at the safety shot sites. Emphasis is placed on obtaining site-specific data for use in calculating dose to potential residents from the residual soil contamination.

  15. MODEL OF FEES CALCULATION FOR ACCESS TO TRACK INFRASTRUCTURE FACILITIES

    Directory of Open Access Journals (Sweden)

    M. I. Mishchenko

    2014-12-01

    Full Text Available Purpose. The purpose of the article is to develop a one- and two-element model of the fees calculation for the use of track infrastructure of Ukrainian railway transport. Methodology. On the basis of this one can consider that when planning the planned preventive track repair works and the amount of depreciation charges the guiding criterion is not the amount of progress it is the operating life of the track infrastructure facilities. The cost of PPTRW is determined on the basis of the following: the classification track repairs; typical technological processes for track repairs; technology based time standards for PPTRW; costs for the work of people, performing the PPTRW, their hourly wage rates according to the Order 98-Ts; the operating cost of machinery; regulated list; norms of expenditures and costs of materials and products (they have the largest share of the costs for repairs; railway rates; average distances for transportation of materials used during repair; standards of general production expenses and the administrative costs. Findings. The models offered in article allow executing the objective account of expenses in travelling facilities for the purpose of calculation of the proved size of indemnification and necessary size of profit, the sufficient enterprises for effective activity of a travelling infrastructure. Originality. The methodological bases of determination the fees (payments for the use of track infrastructure on one- and two-element base taking into account the experience of railways in the EC countries and the current transport legislation were grounded. Practical value. The article proposes the one- and two-element models of calculating the fees (payments for the TIF use, accounting the applicable requirements of European transport legislation, which provides the expense compensation and income formation, sufficient for economic incentives of the efficient operation of the TIE of Ukrainian railway transport.

  16. Engineering calculations in radiative heat transfer

    CERN Document Server

    Gray, W A; Hopkins, D W

    1974-01-01

    Engineering Calculations in Radiative Heat Transfer is a six-chapter book that first explains the basic principles of thermal radiation and direct radiative transfer. Total exchange of radiation within an enclosure containing an absorbing or non-absorbing medium is then described. Subsequent chapters detail the radiative heat transfer applications and measurement of radiation and temperature.

  17. Net analyte signal calculation for multivariate calibration

    NARCIS (Netherlands)

    Ferre, J.; Faber, N.M.

    2003-01-01

    A unifying framework for calibration and prediction in multivariate calibration is shown based on the concept of the net analyte signal (NAS). From this perspective, the calibration step can be regarded as the calculation of a net sensitivity vector, whose length is the amount of net signal when the

  18. Towards the exact calculation of medium nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Gandolfi, Stefano [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Carlson, Joseph Allen [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Lonardoni, Diego [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Wang, Xiaobao [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-12-19

    The prediction of the structure of light and medium nuclei is crucial to test our knowledge of nuclear interactions. The calculation of the nuclei from two- and three-nucleon interactions obtained from rst principle is, however, one of the most challenging problems for many-body nuclear physics.

  19. Complex Kohn calculations on an overset grid

    Science.gov (United States)

    Greenman, Loren; Lucchese, Robert; McCurdy, C. William

    2016-05-01

    An implentation of the overset grid method for complex Kohn scattering calculations is presented, along with static exchange calculations of electron-molecule scattering for small molecules including methane. The overset grid method uses multiple numerical grids, for instance Finite Element Method - Discrete Variable Representation (FEM-DVR) grids, expanded radially around multiple centers (corresponding to the individual atoms in each molecule as well as the center-of-mass of the molecule). The use of this flexible grid allows the complex angular dependence of the wavefunctions near the atomic centers to be well-described, but also allows scattering wavefunctions that oscillate rapidly at large distances to be accurately represented. Additionally, due to the use of multiple grids (and also grid shells), the method is easily parallelizable. The method has been implemented in ePolyscat, a multipurpose suite of programs for general molecular scattering calculations. It is interfaced with a number of quantum chemistry programs (including MolPro, Gaussian, GAMESS, and Columbus), from which it can read molecular orbitals and wavefunctions obtained using standard computational chemistry methods. The preliminary static exchange calculations serve as a test of the applicability.

  20. Calculation of Nucleon Electromagnetic Form Factors

    CERN Document Server

    Renner, D B; Dolgov, D S; Eicker, N; Lippert, T; Negele, J W; Pochinsky, A V; Schilling, K; Lippert, Th.

    2002-01-01

    The fomalism is developed to express nucleon matrix elements of the electromagnetic current in terms of form factors consistent with the translational, rotational, and parity symmetries of a cubic lattice. We calculate the number of these form factors and show how appropriate linear combinations approach the continuum limit.

  1. Calculating Free Energies Using Average Force

    Science.gov (United States)

    Darve, Eric; Pohorille, Andrew; DeVincenzi, Donald L. (Technical Monitor)

    2001-01-01

    A new, general formula that connects the derivatives of the free energy along the selected, generalized coordinates of the system with the instantaneous force acting on these coordinates is derived. The instantaneous force is defined as the force acting on the coordinate of interest so that when it is subtracted from the equations of motion the acceleration along this coordinate is zero. The formula applies to simulations in which the selected coordinates are either unconstrained or constrained to fixed values. It is shown that in the latter case the formula reduces to the expression previously derived by den Otter and Briels. If simulations are carried out without constraining the coordinates of interest, the formula leads to a new method for calculating the free energy changes along these coordinates. This method is tested in two examples - rotation around the C-C bond of 1,2-dichloroethane immersed in water and transfer of fluoromethane across the water-hexane interface. The calculated free energies are compared with those obtained by two commonly used methods. One of them relies on determining the probability density function of finding the system at different values of the selected coordinate and the other requires calculating the average force at discrete locations along this coordinate in a series of constrained simulations. The free energies calculated by these three methods are in excellent agreement. The relative advantages of each method are discussed.

  2. Calculating Traffic based on Road Sensor Data

    NARCIS (Netherlands)

    Bisseling, Rob; Gao, Fengnan; Hafkenscheid, Patrick; Idema, Reijer; Jetka, Tomasz; Guerra Ones, Valia; Sikora, Monika

    2014-01-01

    Road sensors gather a lot of statistical data about traffic. In this paper, we discuss how a measure for the amount of traffic on the roads can be derived from this data, such that the measure is independent of the number and placement of sensors, and the calculations can be performed quickly for la

  3. Computational chemistry: Making a bad calculation

    Science.gov (United States)

    Winter, Arthur

    2015-06-01

    Computations of the energetics and mechanism of the Morita-Baylis-Hillman reaction are ``not even wrong'' when compared with experiments. While computational abstinence may be the purest way to calculate challenging reaction mechanisms, taking prophylactic measures to avoid regrettable outcomes may be more realistic.

  4. Ammonia synthesis from first principles calculations

    DEFF Research Database (Denmark)

    Honkala, Johanna Karoliina; Hellman, Anders; Remediakis, Ioannis

    2005-01-01

    The rate of ammonia synthesis over a nanoparticle ruthenium catalyst can be calculated directly on the basis of a quantum chemical treatment of the problem using density functional theory. We compared the results to measured rates over a ruthenium catalyst supported on magnesium aluminum spinet...

  5. Calculation of tubular joints as compound shells

    Science.gov (United States)

    Golovanov, A. I.

    A scheme for joining isoparametric finite shell elements with a bend in the middle surface is described. A solution is presented for the problem of the stress-strain state of a T-joint loaded by internal pressure. A refined scheme is proposed for calculating structures of this kind with allowance for the stiffness of the welded joint.

  6. IOL Power Calculation after Corneal Refractive Surgery

    Directory of Open Access Journals (Sweden)

    Maddalena De Bernardo

    2014-01-01

    Full Text Available Purpose. To describe the different formulas that try to overcome the problem of calculating the intraocular lens (IOL power in patients that underwent corneal refractive surgery (CRS. Methods. A Pubmed literature search review of all published articles, on keyword associated with IOL power calculation and corneal refractive surgery, as well as the reference lists of retrieved articles, was performed. Results. A total of 33 peer reviewed articles dealing with methods that try to overcome the problem of calculating the IOL power in patients that underwent CRS were found. According to the information needed to try to overcome this problem, the methods were divided in two main categories: 18 methods were based on the knowledge of the patient clinical history and 15 methods that do not require such knowledge. The first group was further divided into five subgroups based on the parameters needed to make such calculation. Conclusion. In the light of our findings, to avoid postoperative nasty surprises, we suggest using only those methods that have shown good results in a large number of patients, possibly by averaging the results obtained with these methods.

  7. Gaseous Nitrogen Orifice Mass Flow Calculator

    Science.gov (United States)

    Ritrivi, Charles

    2013-01-01

    The Gaseous Nitrogen (GN2) Orifice Mass Flow Calculator was used to determine Space Shuttle Orbiter Water Spray Boiler (WSB) GN2 high-pressure tank source depletion rates for various leak scenarios, and the ability of the GN2 consumables to support cooling of Auxiliary Power Unit (APU) lubrication during entry. The data was used to support flight rationale concerning loss of an orbiter APU/hydraulic system and mission work-arounds. The GN2 mass flow-rate calculator standardizes a method for rapid assessment of GN2 mass flow through various orifice sizes for various discharge coefficients, delta pressures, and temperatures. The calculator utilizes a 0.9-lb (0.4 kg) GN2 source regulated to 40 psia (.276 kPa). These parameters correspond to the Space Shuttle WSB GN2 Source and Water Tank Bellows, but can be changed in the spreadsheet to accommodate any system parameters. The calculator can be used to analyze a leak source, leak rate, gas consumables depletion time, and puncture diameter that simulates the measured GN2 system pressure drop.

  8. Block Tridiagonal Matrices in Electronic Structure Calculations

    DEFF Research Database (Denmark)

    Petersen, Dan Erik

    This thesis focuses on some of the numerical aspects of the treatment of the electronic structure problem, in particular that of determining the ground state electronic density for the non–equilibrium Green’s function formulation of two–probe systems and the calculation of transmission in the Lan...

  9. Vibrational Spectra and Quantum Calculations of Ethylbenzene

    Institute of Scientific and Technical Information of China (English)

    Jian Wang; Xue-jun Qiu; Yan-mei Wang; Song Zhang; Bing Zhang

    2012-01-01

    Normal vibrations of ethylbenzene in the first excited state have been studied using resonant two-photon ionization spectroscopy.The band origin of ethylbenzene of S1←S0 transition appeared at 37586 cm-1.A vibrational spectrum of 2000 cm-1 above the band origin in the first excited state has been obtained.Several chain torsions and normal vibrations are obtained in the spectrum.The energies of the first excited state are calculated by the time-dependent density function theory and configuration interaction singles (CIS) methods with various basis sets.The optimized structures and vibrational frequencies of the S0 and S1 states are calculated using Hartree-Fock and CIS methods with 6-311++G(2d,2p) basis set.The calculated geometric structures in the S0 and S1 states are gauche conformations that the symmetric plane of ethyl group is perpendicular to the ring plane.All the observed spectral bands have been successfully assigned with the help of our calculations.

  10. Calculations of dietary exposure to acrylamide

    NARCIS (Netherlands)

    Boon, P.E.; Mul, de A.; Voet, van der H.; Donkersgoed, van G.; Brette, M.; Klaveren, van J.D.

    2005-01-01

    In this paper we calculated the usual and acute exposure to acrylamide (AA) in the Dutch population and young children (1-6 years). For this AA levels of different food groups were used as collected by the Institute for Reference Materials and Measurements (IRMM) of the European Commission's Directo

  11. Precipitates/Salts Model Sensitivity Calculation

    Energy Technology Data Exchange (ETDEWEB)

    P. Mariner

    2001-12-20

    The objective and scope of this calculation is to assist Performance Assessment Operations and the Engineered Barrier System (EBS) Department in modeling the geochemical effects of evaporation on potential seepage waters within a potential repository drift. This work is developed and documented using procedure AP-3.12Q, ''Calculations'', in support of ''Technical Work Plan For Engineered Barrier System Department Modeling and Testing FY 02 Work Activities'' (BSC 2001a). The specific objective of this calculation is to examine the sensitivity and uncertainties of the Precipitates/Salts model. The Precipitates/Salts model is documented in an Analysis/Model Report (AMR), ''In-Drift Precipitates/Salts Analysis'' (BSC 2001b). The calculation in the current document examines the effects of starting water composition, mineral suppressions, and the fugacity of carbon dioxide (CO{sub 2}) on the chemical evolution of water in the drift.

  12. Heat pipe thermosyphon heat performance calculation

    Science.gov (United States)

    Novomestský, Marcel; Kapjor, Andrej; Papučík, Štefan; Siažik, Ján

    2016-06-01

    In this article the heat performance of the heat pipe thermosiphon is achieved through numerical model. The heat performance is calculated from few simplified equations which depends on the working fluid and geometry. Also the thermal conductivity is good to mentioning, because is really interesting how big differences are between heat pipes and full solid surfaces.

  13. Conductance calculations with a wavelet basis set

    DEFF Research Database (Denmark)

    Thygesen, Kristian Sommer; Bollinger, Mikkel; Jacobsen, Karsten Wedel

    2003-01-01

    . The linear-response conductance is calculated from the Green's function which is represented in terms of a system-independent basis set containing wavelets with compact support. This allows us to rigorously separate the central region from the contacts and to test for convergence in a systematic way...

  14. 40 CFR 1065.650 - Emission calculations.

    Science.gov (United States)

    2010-07-01

    ... into the system boundary, this work flow rate signal becomes negative; in this case, include these negative work rate values in the integration to calculate total work from that work path. Some work paths... interval. When power flows into the system boundary, the power/work flow rate signal becomes negative;...

  15. 7 CFR 760.307 - Payment calculation.

    Science.gov (United States)

    2010-01-01

    ...) The monthly feed cost calculated by using the normal carrying capacity of the eligible grazing land of...) By 56. (j) The monthly feed cost using the normal carrying capacity of the eligible grazing land... pastureland by (ii) The normal carrying capacity of the specific type of eligible grazing land or...

  16. 7 CFR 1416.704 - Payment calculation.

    Science.gov (United States)

    2010-01-01

    ... for: (1) Seedlings or cuttings, for trees, bushes or vine replanting; (2) Site preparation and debris...) Replacement, rehabilitation, and pruning; and (6) Labor used to transplant existing seedlings established..., the county committee shall calculate payment based on the number of qualifying trees, bushes or...

  17. On the calculation of Mossbauer isomer shift

    NARCIS (Netherlands)

    Filatov, Michael

    2007-01-01

    A quantum chemical computational scheme for the calculation of isomer shift in Mossbauer spectroscopy is suggested. Within the described scheme, the isomer shift is treated as a derivative of the total electronic energy with respect to the radius of a finite nucleus. The explicit use of a finite nuc

  18. Normalisation of database expressions involving calculations

    NARCIS (Netherlands)

    Denneheuvel, S. van; Renardel de Lavalette, G.R.

    2008-01-01

    In this paper we introduce a relational algebra extended with a calculate operator and derive, for expressions in the corresponding language PCSJL, a normalisation procedure. PCSJL plays a role in the implementation of the Rule Language RL; the normalisation is to be used for query optimisation.

  19. Using Angle calculations to demonstrate vowel shifts

    DEFF Research Database (Denmark)

    Fabricius, Anne

    2008-01-01

    This paper gives an overview of the long-term trends of diachronic changes evident within the short vowel system of RP during the 20th century. more specifically, it focusses on changing juxtapositions of the TRAP, STRUT and LOT, FOOT vowel centroid positions. The paper uses geometric calculation...

  20. Product Customization

    DEFF Research Database (Denmark)

    Hvam, Lars; Mortensen, Niels Henrik; Riis, Jesper

    For the majority of industrial companies, customizing products and services is among the most critical means to deliver true customer value and achieve superior competitive advantage. The challenge is not to customize products and services in itself – but to do it in a profitable way...... from more than 40 product configuration projects in companies providing customer tailored products and services........ The implementation of a product configuration system is among the most powerful ways of achieving this in practice, offering a reduction of the lead time for products and quotations, faster and more qualified responses to customer inquiries, fewer transfers of responsibility and fewer specification mistakes...